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

C26H18FN3O — CID 21027441

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C26H18FN3O/c1-17-4-2-5-20(16-17)26(31)23-7-3-6-22-24(18-12-14-28-15-13-18)25(29-30(22)23)19-8-10-21(27)11-9-19/h2-16H,1H3
InChIKeyGHMLSILOFWIFEY-UHFFFAOYSA-N
MW407.45 g/mol
LogP5.74
Rot. Bonds4

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

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone (PubChem CID 21027441) has the molecular formula C26H18FN3O and a molecular weight of 407.45 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone
PubChem CID21027441
Molecular FormulaC26H18FN3O
Molecular Weight407.45 g/mol
Exact Mass407.14
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C26H18FN3O/c1-17-4-2-5-20(16-17)26(31)23-7-3-6-22-24(18-12-14-28-15-13-18)25(29-30(22)23)19-8-10-21(27)11-9-19/h2-16H,1H3
InChIKeyGHMLSILOFWIFEY-UHFFFAOYSA-N
XLogP5.74
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ibudilast
CID 3671
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
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-2-yl)methanone
CID 42606577
1-(4-Fluorophenyl)-1H-pyrazolo[4,3-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138012
3-((4-(6-Methylpyridin-2-yl)-3-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907179
N-methyl-8-(1-methylindazol-5-yl)-1,6-naphthyridine-2-carboxamide
CID 118660811
[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268006
[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
3,6-dimethyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carboxamide
CID 165368508

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone (CID 21027441) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn23)c1.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone?
The InChIKey is GHMLSILOFWIFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O/c1-17-4-2-5-20(16-17)26(31)23-7-3-6-22-24(18-12-14-28-15-13-18)25(29-30(22)23)19-8-10-21(27)11-9-19/h2-16H,1H3.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]-(3-methylphenyl)methanone has a molecular weight of 407.45 g/mol, XLogP of 5.74, 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-methylphenyl)methanone is sourced from PubChem (CID 21027441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).