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

C16H18F3N7O — CID 133395930

IUPAC(1-methylimidazol-2-yl)-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1
InChIInChI=1S/C16H18F3N7O/c1-24-7-4-20-14(24)13(27)10-2-5-25(6-3-10)12-8-11(16(17,18)19)23-15-21-9-22-26(12)15/h4,7-10,13,27H,2-3,5-6H2,1H3
InChIKeyZGFWFRPKXXMUDD-UHFFFAOYSA-N
MW381.36 g/mol
LogP1.83
Rot. Bonds3

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

(1-methylimidazol-2-yl)-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol (PubChem CID 133395930) has the molecular formula C16H18F3N7O and a molecular weight of 381.36 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[5-(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-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol
PubChem CID133395930
Molecular FormulaC16H18F3N7O
Molecular Weight381.36 g/mol
Exact Mass381.15
IUPAC Name(1-methylimidazol-2-yl)-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol
SMILESCn1ccnc1C(O)C1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1
InChIInChI=1S/C16H18F3N7O/c1-24-7-4-20-14(24)13(27)10-2-5-25(6-3-10)12-8-11(16(17,18)19)23-15-21-9-22-26(12)15/h4,7-10,13,27H,2-3,5-6H2,1H3
InChIKeyZGFWFRPKXXMUDD-UHFFFAOYSA-N
XLogP1.83
TPSA84.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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
5-methyl-1H-pyrazole;1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 153331131

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[5-(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-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol (CID 133395930) is (1-methylimidazol-2-yl)-[1-[5-(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-(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-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol is Cn1ccnc1C(O)C1CCN(c2cc(C(F)(F)F)nc3ncnn23)CC1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol?
The InChIKey is ZGFWFRPKXXMUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N7O/c1-24-7-4-20-14(24)13(27)10-2-5-25(6-3-10)12-8-11(16(17,18)19)23-15-21-9-22-26(12)15/h4,7-10,13,27H,2-3,5-6H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol has a molecular weight of 381.36 g/mol, XLogP of 1.83, 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-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 133395930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).