2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine

C27H23F3N8O — CID 171782558

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1ncnc(C2CC2)c1-c1nc2cncc(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)n2n1
InChIInChI=1S/C27H23F3N8O/c1-39-26-22(23(16-6-7-16)32-14-33-26)24-35-21-12-31-11-19(38(21)36-24)10-15-2-4-17(5-3-15)25-34-20(27(28,29)30)13-37(25)18-8-9-18/h2-5,11-14,16,18H,6-10H2,1H3
InChIKeyUGVFUAUPJGYYEW-UHFFFAOYSA-N
MW532.53 g/mol
LogP5.28
Rot. Bonds7

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 171782558) has the molecular formula C27H23F3N8O and a molecular weight of 532.53 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID171782558
Molecular FormulaC27H23F3N8O
Molecular Weight532.53 g/mol
Exact Mass532.19
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1ncnc(C2CC2)c1-c1nc2cncc(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)n2n1
InChIInChI=1S/C27H23F3N8O/c1-39-26-22(23(16-6-7-16)32-14-33-26)24-35-21-12-31-11-19(38(21)36-24)10-15-2-4-17(5-3-15)25-34-20(27(28,29)30)13-37(25)18-8-9-18/h2-5,11-14,16,18H,6-10H2,1H3
InChIKeyUGVFUAUPJGYYEW-UHFFFAOYSA-N
XLogP5.28
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Related Compounds

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CID 18406917
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
CID 165135384
3-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-7-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
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7-(2-Fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-(pyridin-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406914
(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 49872384
(8R)-8-(4-fluorophenyl)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 57609154
(8R)-2-[(E)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
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4-(2-Methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
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CID 155587672

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 171782558) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine is COc1ncnc(C2CC2)c1-c1nc2cncc(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)n2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is UGVFUAUPJGYYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N8O/c1-39-26-22(23(16-6-7-16)32-14-33-26)24-35-21-12-31-11-19(38(21)36-24)10-15-2-4-17(5-3-15)25-34-20(27(28,29)30)13-37(25)18-8-9-18/h2-5,11-14,16,18H,6-10H2,1H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 532.53 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 171782558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).