Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CCN(C)C2)C(N)=O- InChIKey
VXESXMPPCSUZHL-INIZCTEOSA-N- Molecular formula
- C20H25F2N5O2
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.19763138
Names & identifiers
- Preferred name
- (S)-N-(1-amino-4-methyl-1-oxopentan-2-yl)-3-(3,4-difluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
- IUPAC
- N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(3,4-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxamide
Names & synonyms
SCHEMBL1335454VXESXMPPCSUZHL-INIZCTEOSA-N(S)-N-(1-amino-4-methyl-1-oxopentan-2-yl)-3-(3,4-difluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
Database identifiers
- PubChem CID
- 46863558
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 607
Related reactions
1 records
Compound notes
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