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

C18H17N3O — CID 155386155

IUPAC1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESCc1cccc(-c2cnc3cnn(CC(=O)C4CC4)c3c2)c1
InChIInChI=1S/C18H17N3O/c1-12-3-2-4-14(7-12)15-8-17-16(19-9-15)10-20-21(17)11-18(22)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3
InChIKeyDCMZZBWQUIWHRK-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.39
Rot. Bonds4

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

1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone (PubChem CID 155386155) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
PubChem CID155386155
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESCc1cccc(-c2cnc3cnn(CC(=O)C4CC4)c3c2)c1
InChIInChI=1S/C18H17N3O/c1-12-3-2-4-14(7-12)15-8-17-16(19-9-15)10-20-21(17)11-18(22)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3
InChIKeyDCMZZBWQUIWHRK-UHFFFAOYSA-N
XLogP3.39
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386064
1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386021
1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 169223990
1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386073
2-[6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]acetic acid
CID 155389957
(3S)-4-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-3-methylbutan-2-one
CID 155389416
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
but-1-en-2-ylcyclopropane;2-[(Z)-but-2-en-2-yl]-3-methyl-5-(3-methylphenyl)pyridine
CID 145230942
1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one
CID 155386010
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 175720717
1-(2-cyclobutyl-2-oxoethyl)-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
CID 134493753
1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155389861

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone (CID 155386155) is 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone is Cc1cccc(-c2cnc3cnn(CC(=O)C4CC4)c3c2)c1.
What is the InChIKey of 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The InChIKey is DCMZZBWQUIWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-3-2-4-14(7-12)15-8-17-16(19-9-15)10-20-21(17)11-18(22)13-5-6-13/h2-4,7-10,13H,5-6,11H2,1H3.
What are the key properties of 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 155386155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).