1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone

C17H12F5N5O — CID 155389809

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3cccc(C(F)(F)F)n3)cc21)N1CC(F)(F)C1
InChIInChI=1S/C17H12F5N5O/c18-16(19)8-26(9-16)15(28)7-27-13-4-10(5-23-12(13)6-24-27)11-2-1-3-14(25-11)17(20,21)22/h1-6H,7-9H2
InChIKeyDHTNPUXCDRRUBZ-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.99
Rot. Bonds3

About 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone

1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone (PubChem CID 155389809) has the molecular formula C17H12F5N5O and a molecular weight of 397.31 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
PubChem CID155389809
Molecular FormulaC17H12F5N5O
Molecular Weight397.31 g/mol
Exact Mass397.10
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3cccc(C(F)(F)F)n3)cc21)N1CC(F)(F)C1
InChIInChI=1S/C17H12F5N5O/c18-16(19)8-26(9-16)15(28)7-27-13-4-10(5-23-12(13)6-24-27)11-2-1-3-14(25-11)17(20,21)22/h1-6H,7-9H2
InChIKeyDHTNPUXCDRRUBZ-UHFFFAOYSA-N
XLogP2.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3-difluoroazetidin-1-yl)-2-[6-(4-fluoro-2-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155389970
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
CID 155389987
1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155389861
1-cyclopropyl-2-[6-[3-(trifluoromethoxy)phenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386021
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoro-4-hydroxypyrrolidin-1-yl)ethanone
CID 155389856
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
N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173016
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
2-(benzimidazol-1-yl)-N-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide;2-(benzimidazol-1-yl)-N-[3-[6-(trifluoromethyl)-2-pyridinyl]phenyl]acetamide
CID 87835884
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
CID 155385993

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone (CID 155389809) is 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone is O=C(Cn1ncc2ncc(-c3cccc(C(F)(F)F)n3)cc21)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The InChIKey is DHTNPUXCDRRUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N5O/c18-16(19)8-26(9-16)15(28)7-27-13-4-10(5-23-12(13)6-24-27)11-2-1-3-14(25-11)17(20,21)22/h1-6H,7-9H2.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone?
1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone has a molecular weight of 397.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 155389809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).