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Basic information
- Standard SMILES
CCc1nn(-c2cnc(OC)nc2OC)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O- InChIKey
ZFCPBFSCVUQCLF-UHFFFAOYSA-N- Molecular formula
- C26H25ClN6O4
- Average molar mass
- 521 g/mol
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
- IUPAC
- 4-(4-chlorophenyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-ethyl-4H-pyrrolo[3,4-d]pyrazol-6-one
Names & synonyms
CHEMBL3650909SCHEMBL16244918ZFCPBFSCVUQCLF-UHFFFAOYSA-NBDBM150004US8975417, 604-(4-chlorophenyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-3-ethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Database identifiers
- PubChem CID
- 86292001
- ChEMBL
CHEMBL3650909
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 953
Related reactions
1 records
Compound notes
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