1H-PYRROLO(2,3-B)PYRIDIN-3-AMINE, N-PHENYL-
Also: N-PHENYL-1H-PYRROLO(2,3-B)PYRIDIN-3-AMINE
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- 2f7d94b0-8504-4150-9238-4b312e5c30d6
- Version
- 7
- UNII
- B1XYZ89TUA
- Codes
- Uuid
- 75022b27-8516-4e00-34d9-46d4bf0ca79f
- Code
- 918511-03-2
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=918511-03-2
- Code system
- CAS
- References
- c0efb3c1-32cc-46be-be59-0544176d64aa
- Uuid
- 5539b129-9613-fe8f-18bf-cb0e2f084e46
- Code
- DB07524
- Type
- PRIMARY
- Url
- https://go.drugbank.com/drugs/DB07524
- Code system
- DRUG BANK
- References
- be174bd2-e7ef-7716-39aa-8b5a81156200
- Uuid
- 2421a794-f395-43f0-9328-2c89dc1f1e60
- Code
- B1XYZ89TUA
- Type
- PRIMARY
- Code system
- FDA UNII
- Uuid
- 7cbebf22-6d18-7246-855f-f8de8b45f729
- Code
- 24180721
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/24180721
- Code system
- PUBCHEM
- References
- ce16f304-1ad4-a343-6014-2d0385c98a73
- Names
- Uuid
- 79c85b6d-cfcd-a5d3-05b6-0a8340d5d687
- Name
- 1H-PYRROLO(2,3-B)PYRIDIN-3-AMINE, N-PHENYL-
- StdName
- 1H-PYRROLO(2,3-B)PYRIDIN-3-AMINE, N-PHENYL-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- f987e943-137c-2d36-8255-e424434586ea
- Uuid
- 3094f314-6dc1-5f85-99db-761f85920e24
- Name
- N-PHENYL-1H-PYRROLO(2,3-B)PYRIDIN-3-AMINE
- StdName
- N-PHENYL-1H-PYRROLO(2,3-B)PYRIDIN-3-AMINE
- Type
- sys
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- 4a23ddd8-e8b2-0739-2f71-366704951908
- References
- Uuid
- 4a23ddd8-e8b2-0739-2f71-366704951908
- Citation
- ZINC
- Url
- http://zinc.docking.org/substances/subsets/in-vivo/
- Doc type
- WEBSITE
- Public domain
- true
- Uuid
- c0efb3c1-32cc-46be-be59-0544176d64aa
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Uuid
- f987e943-137c-2d36-8255-e424434586ea
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE
- Uuid
- be174bd2-e7ef-7716-39aa-8b5a81156200
- Doc type
- SYSTEM
- Public domain
- true
- Uuid
- ce16f304-1ad4-a343-6014-2d0385c98a73
- Citation
- PUBCHEM
- Doc type
- PUBCHEM
- Public domain
- true
- Moieties
- Uuid
- d9cf9ed9-3a08-476f-a34a-67bf8b5054a3
- ID
- d9cf9ed9-3a08-476f-a34a-67bf8b5054a3
- Smiles
- c1ccc(cc1)Nc2c[nH]c3c2cccn3
- Formula
- C13H11N3
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 209.247
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132111182D 16 18 0 0 0 0 999 V2000 -1.9666 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5797 -3.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4082 -2.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4521 -1.7540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -1.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6674 -1.4991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 -3.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -3.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 16 1 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 14 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 14 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 2 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 48acb159-8755-4975-baec-4896ef7fb3e0
- Structure
- ID
- e27f6915-a08d-428d-9609-c91adb128dec
- Smiles
- c1ccc(cc1)Nc2c[nH]c3c2cccn3
- Formula
- C13H11N3
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 209.247
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
ZINC000024971313 Marvin 01132111432D 16 18 0 0 0 0 999 V2000 14.1732 -6.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5601 -5.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7316 -5.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5162 -4.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6878 -4.0937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4725 -3.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1399 -4.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8073 -3.8388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5524 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9649 -2.3398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5524 -1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7274 -1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3149 -2.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7274 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1293 -5.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9578 -6.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 4 15 1 0 0 0 0 15 16 2 0 0 0 0 16 1 1 0 0 0 0 14 6 1 0 0 0 0 14 9 1 0 0 0 0 M END
- References
- 4a23ddd8-e8b2-0739-2f71-366704951908, f987e943-137c-2d36-8255-e424434586ea