Basic information
- Standard SMILES
COc1ccc(-c2cnc3[nH]ccc3c2N2CCN(C(=O)[C@H](CNC(C)C)c3ccc(Cl)cc3)CC2)cc1OC- InChIKey
UIQHRZUFTUJBSQ-AREMUKBSSA-N- Molecular formula
- C31H36ClN5O3
- Average molar mass
- 562.1 g/mol
Names & identifiers
- Preferred name
- (s)-2-(4-Chlorophenyl)-1-(4-(5-(3,4-dimethoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one
- IUPAC
- (2S)-2-(4-chlorophenyl)-1-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
Names & synonyms
SCHEMBL3730372UIQHRZUFTUJBSQ-AREMUKBSSA-N(S)-2-(4-chlorophenyl)-1-(4-(5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyri din-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one(s)-2-(4-chlorophenyl)-1-(4-(5-(3,4-dimethoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one
Database identifiers
- PubChem CID
- 59627016
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 804
Related reactions
1 records
Compound notes
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