Basic information
- Standard SMILES
Cc1cc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)cnc1C1=CC[C@@H](N2CCOCC2)CC1- InChIKey
MDRJVBJHVNELIG-JOCHJYFZSA-N- Molecular formula
- C27H29F3N6O2
- Average molar mass
- 526.6 g/mol
Names & identifiers
- Preferred name
- (S)-5-Methyl-N-{5-methyl-6-[4-(morpholin-4-yl)cyclohex-1-en-1-yl]pyridin-3-yl}-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxamide
- IUPAC
- 5-methyl-N-[5-methyl-6-[(4S)-4-morpholin-4-ylcyclohexen-1-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
Names & synonyms
(S)-5-Methyl-N-{5-methyl-6-[4-(morpholin-4-yl)cyclohex-1-en-1-yl]pyridin-3-yl}-1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxamideSCHEMBL15167580
Database identifiers
- PubChem CID
- 72700482
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 851
Related reactions
1 records
Compound notes
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