[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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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).