N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide

C25H21F4N3O3S — CID 21104422

IUPACN-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nn3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C25H21F4N3O3S/c1-2-3-7-22(33)31-36(34,35)20-11-8-16(9-12-20)23-21-13-10-18(25(27,28)29)15-32(21)30-24(23)17-5-4-6-19(26)14-17/h4-6,8-15H,2-3,7H2,1H3,(H,31,33)
InChIKeyQKPLKTBGHYIWFG-UHFFFAOYSA-N
MW519.52 g/mol
LogP5.82
Rot. Bonds7

About N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide

N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide (PubChem CID 21104422) has the molecular formula C25H21F4N3O3S and a molecular weight of 519.52 g/mol. Its IUPAC name is N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide.

Molecular Properties

Compound NameN-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide
PubChem CID21104422
Molecular FormulaC25H21F4N3O3S
Molecular Weight519.52 g/mol
Exact Mass519.12
IUPAC NameN-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide
SMILESCCCCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nn3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C25H21F4N3O3S/c1-2-3-7-22(33)31-36(34,35)20-11-8-16(9-12-20)23-21-13-10-18(25(27,28)29)15-32(21)30-24(23)17-5-4-6-19(26)14-17/h4-6,8-15H,2-3,7H2,1H3,(H,31,33)
InChIKeyQKPLKTBGHYIWFG-UHFFFAOYSA-N
XLogP5.82
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4aS)-1-(4-fluorophenyl)-4a-methyl-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
CID 44454870
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278436
N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431497
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 130431517
N-[3-[[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-methylsulfamoyl]-4-methylphenyl]-2,2,2-trifluoroacetamide
CID 57398895
3-(4-Methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
US10544095, Example 50
CID 126574772
US10385036, Example 9
CID 135334828
3-[2-(3-fluoro-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-methyl-3-phenylpropan-1-amine
CID 162773044
2-[2-(3-fluoro-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-N-methyl-2-phenylethanamine
CID 166627455
N-(4-methylphenyl)sulfonyl-2-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]acetamide
CID 71453597
(R)-N-((S)-2-(dimethylamino)-3-(1H-indazol-6-yl)propyl)-3-(pyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamide
CID 166025497

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide?
The IUPAC name of N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide (CID 21104422) is N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide.
What is the SMILES notation for N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide?
The canonical SMILES for N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide is CCCCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nn3cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide?
The InChIKey is QKPLKTBGHYIWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N3O3S/c1-2-3-7-22(33)31-36(34,35)20-11-8-16(9-12-20)23-21-13-10-18(25(27,28)29)15-32(21)30-24(23)17-5-4-6-19(26)14-17/h4-6,8-15H,2-3,7H2,1H3,(H,31,33).
What are the key properties of N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide?
N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide has a molecular weight of 519.52 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]sulfonylpentanamide is sourced from PubChem (CID 21104422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).