(1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol

C17H20F3N7O — CID 133395724

IUPAC(1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(C(O)c3nccn3C)CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C17H20F3N7O/c1-10-9-12(27-16(22-10)23-15(24-27)17(18,19)20)26-6-3-11(4-7-26)13(28)14-21-5-8-25(14)2/h5,8-9,11,13,28H,3-4,6-7H2,1-2H3
InChIKeyNQKHRQSOVPWVGV-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.14
Rot. Bonds3

About (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol (PubChem CID 133395724) has the molecular formula C17H20F3N7O and a molecular weight of 395.39 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol
PubChem CID133395724
Molecular FormulaC17H20F3N7O
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name(1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(C(O)c3nccn3C)CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C17H20F3N7O/c1-10-9-12(27-16(22-10)23-15(24-27)17(18,19)20)26-6-3-11(4-7-26)13(28)14-21-5-8-25(14)2/h5,8-9,11,13,28H,3-4,6-7H2,1-2H3
InChIKeyNQKHRQSOVPWVGV-UHFFFAOYSA-N
XLogP2.14
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol with MolForge

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Related Compounds

[1-[6-Ethyl-5-methyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 110220013
WO2023001061, Example 13
CID 166594740
WO2023001061, Example 29
CID 166594747
[1-({1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 28099723
1-[5,6-Dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol
CID 95799994
1-[5,6-Dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
CID 110220003
[1-[5,6-Dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 110220010
1-[5,6-Dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-ol;hydrochloride
CID 118741682
1-[5,6-Dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol;hydrochloride
CID 118741701
2-[1-[2-[6-(2,2,2-Trifluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 139359161
1-[7-[[2-(5-Fluoro-2,3-dihydropyridin-6-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethanol
CID 142996599
1-[7-[[2-(3-Fluoro-3,4-dihydropyridin-2-yl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]ethanol
CID 142996658

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol (CID 133395724) is (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol is Cc1cc(N2CCC(C(O)c3nccn3C)CC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol?
The InChIKey is NQKHRQSOVPWVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O/c1-10-9-12(27-16(22-10)23-15(24-27)17(18,19)20)26-6-3-11(4-7-26)13(28)14-21-5-8-25(14)2/h5,8-9,11,13,28H,3-4,6-7H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol has a molecular weight of 395.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 133395724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).