2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone

C20H11F4N3O — CID 21027350

IUPAC2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone
SMILESO=C(c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12)C(F)(F)F
InChIInChI=1S/C20H11F4N3O/c21-14-6-4-13(5-7-14)18-17(12-8-10-25-11-9-12)15-2-1-3-16(27(15)26-18)19(28)20(22,23)24/h1-11H
InChIKeyMKEGSWOQHSSHIV-UHFFFAOYSA-N
MW385.32 g/mol
LogP4.95
Rot. Bonds3

About 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone

2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone (PubChem CID 21027350) has the molecular formula C20H11F4N3O and a molecular weight of 385.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone
PubChem CID21027350
Molecular FormulaC20H11F4N3O
Molecular Weight385.32 g/mol
Exact Mass385.08
IUPAC Name2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone
SMILESO=C(c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12)C(F)(F)F
InChIInChI=1S/C20H11F4N3O/c21-14-6-4-13(5-7-14)18-17(12-8-10-25-11-9-12)15-2-1-3-16(27(15)26-18)19(28)20(22,23)24/h1-11H
InChIKeyMKEGSWOQHSSHIV-UHFFFAOYSA-N
XLogP4.95
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
1-[1-(Pyridin-2-Yl)indolizin-3-Yl]ethan-1-One
CID 54759170
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
(3-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322044
(2-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322045
2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 3241417
2-(4-Fluorophenyl)-7-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836051
4-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879605
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 10155254

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone (CID 21027350) is 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone is O=C(c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone?
The InChIKey is MKEGSWOQHSSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N3O/c21-14-6-4-13(5-7-14)18-17(12-8-10-25-11-9-12)15-2-1-3-16(27(15)26-18)19(28)20(22,23)24/h1-11H.
What are the key properties of 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone?
2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone has a molecular weight of 385.32 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]ethanone is sourced from PubChem (CID 21027350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).