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

C46H34F6N12O2 — CID 159552613

IUPAC[2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol
SMILESCc1cn(-c2ccc(-c3nc4nc(-c5ccccc5C(F)(F)F)ccn4n3)cc2CO)cn1.Cc1cn(-c2ccc(-c3nc4nccc(-c5ccccc5C(F)(F)F)n4n3)cc2CO)cn1
InChIInChI=1S/2C23H17F3N6O/c1-14-11-31(13-27-14)20-7-6-15(10-16(20)12-33)21-29-22-28-19(8-9-32(22)30-21)17-4-2-3-5-18(17)23(24,25)26;1-14-11-31(13-28-14)19-7-6-15(10-16(19)12-33)21-29-22-27-9-8-20(32(22)30-21)17-4-2-3-5-18(17)23(24,25)26/h2*2-11,13,33H,12H2,1H3
InChIKeyMFOVIABCXYQJIX-UHFFFAOYSA-N
MW900.85 g/mol
LogP8.93
Rot. Bonds8

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

[2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol (PubChem CID 159552613) has the molecular formula C46H34F6N12O2 and a molecular weight of 900.85 g/mol. Its IUPAC name is [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol
PubChem CID159552613
Molecular FormulaC46H34F6N12O2
Molecular Weight900.85 g/mol
Exact Mass900.28
IUPAC Name[2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol
SMILESCc1cn(-c2ccc(-c3nc4nc(-c5ccccc5C(F)(F)F)ccn4n3)cc2CO)cn1.Cc1cn(-c2ccc(-c3nc4nccc(-c5ccccc5C(F)(F)F)n4n3)cc2CO)cn1
InChIInChI=1S/2C23H17F3N6O/c1-14-11-31(13-27-14)20-7-6-15(10-16(20)12-33)21-29-22-28-19(8-9-32(22)30-21)17-4-2-3-5-18(17)23(24,25)26;1-14-11-31(13-28-14)19-7-6-15(10-16(19)12-33)21-29-22-27-9-8-20(32(22)30-21)17-4-2-3-5-18(17)23(24,25)26/h2*2-11,13,33H,12H2,1H3
InChIKeyMFOVIABCXYQJIX-UHFFFAOYSA-N
XLogP8.93
TPSA162.26 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.85
LogP ≤ 58.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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

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Related Compounds

[6-[4-[6-(1-Methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]-3-pyridinyl]-phenylmethanol
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US10071079, Example 502
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US10071079, Example 505
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US10071079, Example 516
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US20250127780, Example 3
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1-(5,7-Difluoroquinolin-6-yl)-1-[6-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethanol
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(Rac)-1-(7-fluoro-quinolin-6-yl)-1-{6-[1-(2-hydroxy-ethyl)-1h-pyrazol-4-yl]-imidazo[1,2-b]pyridazin-3-yl}-ethanol
CID 57917331
(1R)-1-(7-fluoroquinolin-6-yl)-1-[6-[1-(2-hydroxyethyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol?
The IUPAC name of [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol (CID 159552613) is [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol?
The canonical SMILES for [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol is Cc1cn(-c2ccc(-c3nc4nc(-c5ccccc5C(F)(F)F)ccn4n3)cc2CO)cn1.Cc1cn(-c2ccc(-c3nc4nccc(-c5ccccc5C(F)(F)F)n4n3)cc2CO)cn1.
What is the InChIKey of [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol?
The InChIKey is MFOVIABCXYQJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H17F3N6O/c1-14-11-31(13-27-14)20-7-6-15(10-16(20)12-33)21-29-22-28-19(8-9-32(22)30-21)17-4-2-3-5-18(17)23(24,25)26;1-14-11-31(13-28-14)19-7-6-15(10-16(19)12-33)21-29-22-27-9-8-20(32(22)30-21)17-4-2-3-5-18(17)23(24,25)26/h2*2-11,13,33H,12H2,1H3.
What are the key properties of [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol?
[2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol has a molecular weight of 900.85 g/mol, XLogP of 8.93, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylimidazol-1-yl)-5-[5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol;[2-(4-methylimidazol-1-yl)-5-[7-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]methanol is sourced from PubChem (CID 159552613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).