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

C17H13F3N4O — CID 155389861

IUPAC1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3cc(F)c(F)c(F)c3)cc21)N1CCC1
InChIInChI=1S/C17H13F3N4O/c18-12-4-10(5-13(19)17(12)20)11-6-15-14(21-7-11)8-22-24(15)9-16(25)23-2-1-3-23/h4-8H,1-3,9H2
InChIKeyLTMXHOHGSNYAFD-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.75
Rot. Bonds3

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

1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone (PubChem CID 155389861) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
PubChem CID155389861
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3cc(F)c(F)c(F)c3)cc21)N1CCC1
InChIInChI=1S/C17H13F3N4O/c18-12-4-10(5-13(19)17(12)20)11-6-15-14(21-7-11)8-22-24(15)9-16(25)23-2-1-3-23/h4-8H,1-3,9H2
InChIKeyLTMXHOHGSNYAFD-UHFFFAOYSA-N
XLogP2.75
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 175720717
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-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]ethanone
CID 155389987
1-(2-cyclopropyl-2-methoxyethyl)-6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridine
CID 155386051
2-[6-(3-chloro-4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-1-cyclopropylethanone
CID 155385993
1-cyclopropyl-2-[6-(4-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386064
1-cyclopropyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155386073
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
1-(3,3-difluoroazetidin-1-yl)-2-[6-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 155389809
1-cyclobutyl-2-[6-(2-fluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone
CID 169223990
(3S)-4-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]-3-methylbutan-2-one
CID 155389416
N'-acetyl-2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]acetohydrazide
CID 155388788

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone (CID 155389861) is 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone is O=C(Cn1ncc2ncc(-c3cc(F)c(F)c(F)c3)cc21)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
The InChIKey is LTMXHOHGSNYAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-12-4-10(5-13(19)17(12)20)11-6-15-14(21-7-11)8-22-24(15)9-16(25)23-2-1-3-23/h4-8H,1-3,9H2.
What are the key properties of 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone?
1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone has a molecular weight of 346.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[6-(3,4,5-trifluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 155389861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).