(2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

C22H25F3N6O — CID 46955671

IUPAC(2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC(c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)CC2)c(C)n1
InChIInChI=1S/C22H25F3N6O/c1-12(2)17-9-19(22(23,24)25)31-20(28-17)10-18(29-31)15-5-7-30(8-6-15)21(32)16-11-26-14(4)27-13(16)3/h9-12,15H,5-8H2,1-4H3
InChIKeyCSMWVQARPNGQCH-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.30
Rot. Bonds3

About (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 46955671) has the molecular formula C22H25F3N6O and a molecular weight of 446.48 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID46955671
Molecular FormulaC22H25F3N6O
Molecular Weight446.48 g/mol
Exact Mass446.20
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC(c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)CC2)c(C)n1
InChIInChI=1S/C22H25F3N6O/c1-12(2)17-9-19(22(23,24)25)31-20(28-17)10-18(29-31)15-5-7-30(8-6-15)21(32)16-11-26-14(4)27-13(16)3/h9-12,15H,5-8H2,1-4H3
InChIKeyCSMWVQARPNGQCH-UHFFFAOYSA-N
XLogP4.30
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 46955671) is (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is Cc1ncc(C(=O)N2CCC(c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)CC2)c(C)n1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is CSMWVQARPNGQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O/c1-12(2)17-9-19(22(23,24)25)31-20(28-17)10-18(29-31)15-5-7-30(8-6-15)21(32)16-11-26-14(4)27-13(16)3/h9-12,15H,5-8H2,1-4H3.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 446.48 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[4-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46955671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).