4-(4-chlorophenyl)-1-cyclopropyl-3-methyl-5-(3-methyl-3H-[1,2,3]triazolo[4,5-b]-pyridin-5-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
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Basic information
- Standard SMILES
Cc1nn(C2CC2)c2c1C(c1ccc(Cl)cc1)N(c1ccc3nnn(C)c3n1)C2=O- InChIKey
DDIGBXFXYQBMSG-UHFFFAOYSA-N- Molecular formula
- C21H18ClN7O
- Average molar mass
- 419.9 g/mol
Names & identifiers
- Preferred name
- 4-(4-chlorophenyl)-1-cyclopropyl-3-methyl-5-(3-methyl-3H-[1,2,3]triazolo[4,5-b]-pyridin-5-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
- IUPAC
- 4-(4-chlorophenyl)-1-cyclopropyl-3-methyl-5-(3-methyltriazolo[4,5-b]pyridin-5-yl)-4H-pyrrolo[3,4-d]pyrazol-6-one
Names & synonyms
CHEMBL3650947SCHEMBL16244545DDIGBXFXYQBMSG-UHFFFAOYSA-NBDBM150042US8975417, 1024-(4-chlorophenyl)-1-cyclopropyl-3-methyl-5-(3-methyl-3H-[1,2,3]triazolo[4,5-b]-pyridin-5-yl)-4,5-dihydropyrrolo-[3,4-c]pyrazol-6(1H)-one4-(4-chlorophenyl)-1-cyclopropyl-3-methyl-5-(3-methyl-3H-[1,2,3]triazolo[4,5-b]-pyridin-5-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Database identifiers
- PubChem CID
- 86293161
- ChEMBL
CHEMBL3650947
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 684
Related reactions
1 records
Compound notes
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