1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone

C19H18FN3O — CID 169223990

IUPAC1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESCc1cccc(-c2cnc3cnn(CC(=O)C4CCC4)c3c2)c1F
InChIInChI=1S/C19H18FN3O/c1-12-4-2-7-15(19(12)20)14-8-17-16(21-9-14)10-22-23(17)11-18(24)13-5-3-6-13/h2,4,7-10,13H,3,5-6,11H2,1H3
InChIKeyHAFHHYITCGCAMS-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.92
Rot. Bonds4

About 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone

1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone (PubChem CID 169223990) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
PubChem CID169223990
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESCc1cccc(-c2cnc3cnn(CC(=O)C4CCC4)c3c2)c1F
InChIInChI=1S/C19H18FN3O/c1-12-4-2-7-15(19(12)20)14-8-17-16(21-9-14)10-22-23(17)11-18(24)13-5-3-6-13/h2,4,7-10,13H,3,5-6,11H2,1H3
InChIKeyHAFHHYITCGCAMS-UHFFFAOYSA-N
XLogP3.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone (CID 169223990) is 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone is Cc1cccc(-c2cnc3cnn(CC(=O)C4CCC4)c3c2)c1F.
What is the InChIKey of 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The InChIKey is HAFHHYITCGCAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-12-4-2-7-15(19(12)20)14-8-17-16(21-9-14)10-22-23(17)11-18(24)13-5-3-6-13/h2,4,7-10,13H,3,5-6,11H2,1H3.
What are the key properties of 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone has a molecular weight of 323.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 169223990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).