[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone

C26H15F4N3O — CID 21027434

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C26H15F4N3O/c27-20-9-7-17(8-10-20)24-23(16-11-13-31-14-12-16)21-5-2-6-22(33(21)32-24)25(34)18-3-1-4-19(15-18)26(28,29)30/h1-15H
InChIKeyISBHPPDBQACBIU-UHFFFAOYSA-N
MW461.42 g/mol
LogP6.45
Rot. Bonds4

About [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 21027434) has the molecular formula C26H15F4N3O and a molecular weight of 461.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID21027434
Molecular FormulaC26H15F4N3O
Molecular Weight461.42 g/mol
Exact Mass461.12
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C26H15F4N3O/c27-20-9-7-17(8-10-20)24-23(16-11-13-31-14-12-16)21-5-2-6-22(33(21)32-24)25(34)18-3-1-4-19(15-18)26(28,29)30/h1-15H
InChIKeyISBHPPDBQACBIU-UHFFFAOYSA-N
XLogP6.45
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
2-phenyl-3-pyridin-4-yl-6,7-dihydro-5H-indazol-4-one
CID 3241417
1-(4-Fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138012
US9951086, Example 28
CID 118172944
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268020
2-phenyl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 165414998
1-(4-Fluoro-phenyl)-4-[2-(2-pyridin-2-yl-ethyl)-1,2,3,4-tetrahydro-beta-carbolin-9-yl]-butan-1-one
CID 44268248
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
CID 57394858
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 57398388
(3-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 155513245

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 21027434) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is ISBHPPDBQACBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F4N3O/c27-20-9-7-17(8-10-20)24-23(16-11-13-31-14-12-16)21-5-2-6-22(33(21)32-24)25(34)18-3-1-4-19(15-18)26(28,29)30/h1-15H.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 461.42 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 21027434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).