Basic information
- Standard SMILES
Cc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2c1c(=O)[nH]n2C(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
FYAFGBQOCLOIJF-XMMPIXPASA-N- Molecular formula
- C35H31N5O2
- Average molar mass
- 553.7 g/mol
Names & identifiers
- Preferred name
- (R)-1-(4-methyl-3-oxo-1-trityl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
- IUPAC
- 1-(4-methyl-3-oxo-1-trityl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
Names & synonyms
SCHEMBL16965024FYAFGBQOCLOIJF-XMMPIXPASA-N(R)-1-(4-methyl-3-oxo-1-trityl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
Database identifiers
- PubChem CID
- 118272012
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 858
Related reactions
2 records
Compound notes
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