Basic information
- Standard SMILES
COCc1nn(C2CC2)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O- InChIKey
YTYPEASDFWXHLK-UHFFFAOYSA-N- Molecular formula
- C24H23ClN6O2
- Average molar mass
- 462.9 g/mol
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(methoxymethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
- IUPAC
- 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(methoxymethyl)-4H-pyrrolo[3,4-d]pyrazol-6-one
Names & synonyms
CHEMBL3650975SCHEMBL16244508YTYPEASDFWXHLK-UHFFFAOYSA-NBDBM150070US8975417, 1304-(4-chlorophenyl)-1-cyclopropyl-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(methoxymethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Database identifiers
- PubChem CID
- 91826331
- ChEMBL
CHEMBL3650975
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 746
Related reactions
2 records
Compound notes
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