1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol

C17H16F3N3O — CID 155386146

IUPAC1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol
SMILESCCC(O)Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C17H16F3N3O/c1-2-12(24)9-23-16-6-11(7-21-15(16)8-22-23)10-3-4-14(18)13(5-10)17(19)20/h3-8,12,17,24H,2,9H2,1H3
InChIKeyFTTSFYMDYPJMDB-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.95
Rot. Bonds5

About 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol

1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol (PubChem CID 155386146) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol
PubChem CID155386146
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol
SMILESCCC(O)Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C17H16F3N3O/c1-2-12(24)9-23-16-6-11(7-21-15(16)8-22-23)10-3-4-14(18)13(5-10)17(19)20/h3-8,12,17,24H,2,9H2,1H3
InChIKeyFTTSFYMDYPJMDB-UHFFFAOYSA-N
XLogP3.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
CID 155386056
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetaldehyde
CID 175366787
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 155389203
1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386073
N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide
CID 155388788
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155388658
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155399899
3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole
CID 155388989
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155388869
(3S)-4-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-3-methylbutan-2-one
CID 155389416
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoro-4-hydroxypyrrolidin-1-yl)ethanone
CID 155389856
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 175720717

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol?
The IUPAC name of 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol (CID 155386146) is 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol?
The canonical SMILES for 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol is CCC(O)Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21.
What is the InChIKey of 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol?
The InChIKey is FTTSFYMDYPJMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-2-12(24)9-23-16-6-11(7-21-15(16)8-22-23)10-3-4-14(18)13(5-10)17(19)20/h3-8,12,17,24H,2,9H2,1H3.
What are the key properties of 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol?
1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol has a molecular weight of 335.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol is sourced from PubChem (CID 155386146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).