[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C24H19F4N5O — CID 4917700

IUPAC[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H19F4N5O/c25-17-8-6-15(7-9-17)18-12-21(24(26,27)28)33-22(30-18)13-19(31-33)23(34)32-11-2-1-5-20(32)16-4-3-10-29-14-16/h3-4,6-10,12-14,20H,1-2,5,11H2
InChIKeyQMNWXSUUWIKMAI-UHFFFAOYSA-N
MW469.44 g/mol
LogP5.32
Rot. Bonds3

About [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 4917700) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID4917700
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC Name[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H19F4N5O/c25-17-8-6-15(7-9-17)18-12-21(24(26,27)28)33-22(30-18)13-19(31-33)23(34)32-11-2-1-5-20(32)16-4-3-10-29-14-16/h3-4,6-10,12-14,20H,1-2,5,11H2
InChIKeyQMNWXSUUWIKMAI-UHFFFAOYSA-N
XLogP5.32
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.44
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ocinaplon
CID 216456
Zanvipixant
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N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
Jqez5
CID 121322599
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
PDE2 inhibitor 6
CID 129120905
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
1-[(3R)-3-[4-amino-3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 165368930
(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 122604287
(3S)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604354
US10774086, Example 7
CID 134551551
US10774086, Example 17
CID 134551553

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 4917700) is [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCCC1c1cccnc1.
What is the InChIKey of [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is QMNWXSUUWIKMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O/c25-17-8-6-15(7-9-17)18-12-21(24(26,27)28)33-22(30-18)13-19(31-33)23(34)32-11-2-1-5-20(32)16-4-3-10-29-14-16/h3-4,6-10,12-14,20H,1-2,5,11H2.
What are the key properties of [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 469.44 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 4917700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).