4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one

C22H20ClN7O — CID 86292380

IUPAC4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C2CC2)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3n1)C2=O
InChIInChI=1S/C22H20ClN7O/c1-11-10-16(24-21-18(11)25-27-28(21)3)29-19(13-4-6-14(23)7-5-13)17-12(2)26-30(15-8-9-15)20(17)22(29)31/h4-7,10,15,19H,8-9H2,1-3H3
InChIKeyASOYBTGQKMWPGU-UHFFFAOYSA-N
MW433.90 g/mol
LogP3.91
Rot. Bonds3

About 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 86292380) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID86292380
Molecular FormulaC22H20ClN7O
Molecular Weight433.90 g/mol
Exact Mass433.14
IUPAC Name4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C2CC2)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3n1)C2=O
InChIInChI=1S/C22H20ClN7O/c1-11-10-16(24-21-18(11)25-27-28(21)3)29-19(13-4-6-14(23)7-5-13)17-12(2)26-30(15-8-9-15)20(17)22(29)31/h4-7,10,15,19H,8-9H2,1-3H3
InChIKeyASOYBTGQKMWPGU-UHFFFAOYSA-N
XLogP3.91
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 86292380) is 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(C2CC2)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnn(C)c3n1)C2=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is ASOYBTGQKMWPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c1-11-10-16(24-21-18(11)25-27-28(21)3)29-19(13-4-6-14(23)7-5-13)17-12(2)26-30(15-8-9-15)20(17)22(29)31/h4-7,10,15,19H,8-9H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 433.90 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-cyclopropyl-5-(3,7-dimethyltriazolo[4,5-b]pyridin-5-yl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 86292380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).