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

C24H20F3N5O — CID 2974885

IUPAC[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H20F3N5O/c25-24(26,27)21-13-19(16-7-2-1-3-8-16)30-22-18(15-29-32(21)22)23(33)31-12-5-4-10-20(31)17-9-6-11-28-14-17/h1-3,6-9,11,13-15,20H,4-5,10,12H2
InChIKeyFWKSYTIVDOSDDV-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.18
Rot. Bonds3

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

[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 2974885) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID2974885
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H20F3N5O/c25-24(26,27)21-13-19(16-7-2-1-3-8-16)30-22-18(15-29-32(21)22)23(33)31-12-5-4-10-20(31)17-9-6-11-28-14-17/h1-3,6-9,11,13-15,20H,4-5,10,12H2
InChIKeyFWKSYTIVDOSDDV-UHFFFAOYSA-N
XLogP5.18
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 2974885) is [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCCCC1c1cccnc1.
What is the InChIKey of [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is FWKSYTIVDOSDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c25-24(26,27)21-13-19(16-7-2-1-3-8-16)30-22-18(15-29-32(21)22)23(33)31-12-5-4-10-20(31)17-9-6-11-28-14-17/h1-3,6-9,11,13-15,20H,4-5,10,12H2.
What are the key properties of [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 451.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 2974885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).