1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one

C22H19ClFN3O — CID 20951921

IUPAC1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one
SMILESCc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(Cc3cccc(F)c3)c21
InChIInChI=1S/C22H19ClFN3O/c1-13-10-20(28)26(12-16-6-4-7-17(24)11-16)22-21(13)15(3)25-27(22)19-9-5-8-18(23)14(19)2/h4-11H,12H2,1-3H3
InChIKeyUXWGUGSTCDPRDR-UHFFFAOYSA-N
MW395.87 g/mol
LogP4.95
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one

1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one (PubChem CID 20951921) has the molecular formula C22H19ClFN3O and a molecular weight of 395.87 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one
PubChem CID20951921
Molecular FormulaC22H19ClFN3O
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one
SMILESCc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(Cc3cccc(F)c3)c21
InChIInChI=1S/C22H19ClFN3O/c1-13-10-20(28)26(12-16-6-4-7-17(24)11-16)22-21(13)15(3)25-27(22)19-9-5-8-18(23)14(19)2/h4-11H,12H2,1-3H3
InChIKeyUXWGUGSTCDPRDR-UHFFFAOYSA-N
XLogP4.95
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one (CID 20951921) is 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one is Cc1c(Cl)cccc1-n1nc(C)c2c(C)cc(=O)n(Cc3cccc(F)c3)c21.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one?
The InChIKey is UXWGUGSTCDPRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O/c1-13-10-20(28)26(12-16-6-4-7-17(24)11-16)22-21(13)15(3)25-27(22)19-9-5-8-18(23)14(19)2/h4-11H,12H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one?
1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one has a molecular weight of 395.87 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-7-[(3-fluorophenyl)methyl]-3,4-dimethylpyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20951921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).