3-fluoro-5-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[(pyridin-4-ylmethyl)-amino]-benzamide
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Basic information
- Standard SMILES
COc1ccccc1-c1c[nH]c2ncc(-c3cc(F)c(NCc4ccncc4)c(C(=O)N(C)C)c3)cc12- InChIKey
SOBKKTBZMPBJMM-UHFFFAOYSA-N- Molecular formula
- C29H26FN5O2
- Average molar mass
- 495.5 g/mol
Names & identifiers
- Preferred name
- 3-fluoro-5-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[(pyridin-4-ylmethyl)-amino]-benzamide
- IUPAC
- 3-fluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyridin-4-ylmethylamino)benzamide
Names & synonyms
SCHEMBL3564826SOBKKTBZMPBJMM-UHFFFAOYSA-N3-fluoro-5-[3-(2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-[(pyridin-4-ylmethyl)-amino]-benzamide
Database identifiers
- PubChem CID
- 57731436
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 750
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Related reactions
2 records
Compound notes
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