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

C18H14F3N3O2 — CID 155386021

IUPAC1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3cccc(OC(F)(F)F)c3)cc21)C1CC1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-3-1-2-12(6-14)13-7-16-15(22-8-13)9-23-24(16)10-17(25)11-4-5-11/h1-3,6-9,11H,4-5,10H2
InChIKeyFZGLSOQFRNSFNA-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.98
Rot. Bonds5

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

1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone (PubChem CID 155386021) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
PubChem CID155386021
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3cccc(OC(F)(F)F)c3)cc21)C1CC1
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-3-1-2-12(6-14)13-7-16-15(22-8-13)9-23-24(16)10-17(25)11-4-5-11/h1-3,6-9,11H,4-5,10H2
InChIKeyFZGLSOQFRNSFNA-UHFFFAOYSA-N
XLogP3.98
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-2-[6-(3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386155
1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386064
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
(3S)-4-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-3-methylbutan-2-one
CID 155389416
1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155389809
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
2-methyl-1-[6-[3-(trifluoromethoxy)phenyl]benzimidazol-1-yl]propan-2-ol
CID 129041207
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909169
N-cyclohexyl-N-methyl-4-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-1-carboxamide
CID 66682353
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone (CID 155386021) is 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone is O=C(Cn1ncc2ncc(-c3cccc(OC(F)(F)F)c3)cc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The InChIKey is FZGLSOQFRNSFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-3-1-2-12(6-14)13-7-16-15(22-8-13)9-23-24(16)10-17(25)11-4-5-11/h1-3,6-9,11H,4-5,10H2.
What are the key properties of 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone has a molecular weight of 361.32 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 155386021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).