Basic information
- CAS
200418-08-2- Standard SMILES
C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)NC- InChIKey
VSBPZNPTRJWSCM-UHFFFAOYSA-N- Molecular formula
- C27H20FN5O2
- Average molar mass
- 465.5 g/mol
- Monoisotopic mass
- 465.16010306
Names & identifiers
- Preferred name
- 1H-Indole-1-carboxamide, 4-ethynyl-3-(3-fluoro-4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)methyl)benzoyl)-N-methyl-
- IUPAC
- 4-ethynyl-3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N-methylindole-1-carboxamide
Names & synonyms
CHEMBL4337951H-Indole-1-carboxamide, 4-ethynyl-3-(3-fluoro-4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)methyl)benzoyl)-N-methyl-200418-08-2DTXSID40173863BDBM500621014-Ethynyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid methylamide4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl}-N-methyl-1H-indole-1-carboxamide
Database identifiers
- CAS
200418-08-2- PubChem CID
- 154121
- DTXSID
DTXSID40173863- ChEMBL
CHEMBL433795- Nikkaji
- J1.140.758G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 860
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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