7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one

C22H20FN3O — CID 20951849

IUPAC7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C22H20FN3O/c1-14-4-10-19(11-5-14)26-22-21(16(3)24-26)15(2)12-20(27)25(22)13-17-6-8-18(23)9-7-17/h4-12H,13H2,1-3H3
InChIKeyMKYBRRDSEUHYGT-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.30
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one

7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one (PubChem CID 20951849) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
PubChem CID20951849
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C22H20FN3O/c1-14-4-10-19(11-5-14)26-22-21(16(3)24-26)15(2)12-20(27)25(22)13-17-6-8-18(23)9-7-17/h4-12H,13H2,1-3H3
InChIKeyMKYBRRDSEUHYGT-UHFFFAOYSA-N
XLogP4.30
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one (CID 20951849) is 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(Cc4ccc(F)cc4)c32)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MKYBRRDSEUHYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-14-4-10-19(11-5-14)26-22-21(16(3)24-26)15(2)12-20(27)25(22)13-17-6-8-18(23)9-7-17/h4-12H,13H2,1-3H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one?
7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 361.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20951849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).