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

C18H16FN3O — CID 155386064

IUPAC1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESCc1cc(-c2cnc3cnn(CC(=O)C4CC4)c3c2)ccc1F
InChIInChI=1S/C18H16FN3O/c1-11-6-13(4-5-15(11)19)14-7-17-16(20-8-14)9-21-22(17)10-18(23)12-2-3-12/h4-9,12H,2-3,10H2,1H3
InChIKeyBMSTZSWGGAVTSJ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.52
Rot. Bonds4

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

1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone (PubChem CID 155386064) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
PubChem CID155386064
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESCc1cc(-c2cnc3cnn(CC(=O)C4CC4)c3c2)ccc1F
InChIInChI=1S/C18H16FN3O/c1-11-6-13(4-5-15(11)19)14-7-17-16(20-8-14)9-21-22(17)10-18(23)12-2-3-12/h4-9,12H,2-3,10H2,1H3
InChIKeyBMSTZSWGGAVTSJ-UHFFFAOYSA-N
XLogP3.52
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
CID 155385993
1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386073
1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386155
1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 169223990
1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386021
6-(4-fluoro-3-methylphenyl)-1-(2-methoxyethyl)pyrazolo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 155386097
2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
CID 155388660
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
(3S)-4-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-3-methylbutan-2-one
CID 155389416
(2S)-2-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanol
CID 155389233
2-[[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 155389053
6-(4-fluoro-3-methylphenyl)-1-[(6-methyl-1,2-dihydropyridin-5-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155399979

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone (CID 155386064) is 1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone is Cc1cc(-c2cnc3cnn(CC(=O)C4CC4)c3c2)ccc1F.
What is the InChIKey of 1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The InChIKey is BMSTZSWGGAVTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-6-13(4-5-15(11)19)14-7-17-16(20-8-14)9-21-22(17)10-18(23)12-2-3-12/h4-9,12H,2-3,10H2,1H3.
What are the key properties of 1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone has a molecular weight of 309.34 g/mol, XLogP of 3.52, 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-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 155386064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).