Basic information
- Standard SMILES
COC(=O)c1ccc(-c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)cc1- InChIKey
SJKDPBAFVLHAMH-UHFFFAOYSA-N- Molecular formula
- C27H21N5O3
- Average molar mass
- 463.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(6-acetyl-7-amino-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
- IUPAC
- methyl 4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoate
Names & synonyms
SCHEMBL602256SJKDPBAFVLHAMH-UHFFFAOYSA-Nmethyl 4-(6-acetyl-7-amino-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
Database identifiers
- PubChem CID
- 66740249
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 751
Related reactions
3 records
Compound notes
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