[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C19H17F3N8O — CID 110214025

IUPAC[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N3CCCC(c4ccnc5ncnn45)C3)cc2n1
InChIInChI=1S/C19H17F3N8O/c1-11-7-15(19(20,21)22)30-16(26-11)8-13(27-30)17(31)28-6-2-3-12(9-28)14-4-5-23-18-24-10-25-29(14)18/h4-5,7-8,10,12H,2-3,6,9H2,1H3
InChIKeyQSVHXIPUXPKBLK-UHFFFAOYSA-N
MW430.39 g/mol
LogP2.51
Rot. Bonds2

About [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 110214025) has the molecular formula C19H17F3N8O and a molecular weight of 430.39 g/mol. Its IUPAC name is [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID110214025
Molecular FormulaC19H17F3N8O
Molecular Weight430.39 g/mol
Exact Mass430.15
IUPAC Name[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N3CCCC(c4ccnc5ncnn45)C3)cc2n1
InChIInChI=1S/C19H17F3N8O/c1-11-7-15(19(20,21)22)30-16(26-11)8-13(27-30)17(31)28-6-2-3-12(9-28)14-4-5-23-18-24-10-25-29(14)18/h4-5,7-8,10,12H,2-3,6,9H2,1H3
InChIKeyQSVHXIPUXPKBLK-UHFFFAOYSA-N
XLogP2.51
TPSA93.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 110214025) is [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCCC(c4ccnc5ncnn45)C3)cc2n1.
What is the InChIKey of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is QSVHXIPUXPKBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8O/c1-11-7-15(19(20,21)22)30-16(26-11)8-13(27-30)17(31)28-6-2-3-12(9-28)14-4-5-23-18-24-10-25-29(14)18/h4-5,7-8,10,12H,2-3,6,9H2,1H3.
What are the key properties of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 430.39 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110214025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).