2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C23H22F3N7O3S — CID 66778683

IUPAC2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1nc(-c2nc3n(n2)CCN(S(C)(=O)=O)C3c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22F3N7O3S/c1-14-12-31(13-27-14)18-9-8-17(28-22(18)36-2)20-29-21-19(15-4-6-16(7-5-15)23(24,25)26)33(37(3,34)35)11-10-32(21)30-20/h4-9,12-13,19H,10-11H2,1-3H3
InChIKeyUOJDUFRAJBETKM-UHFFFAOYSA-N
MW533.54 g/mol
LogP3.23
Rot. Bonds5

About 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 66778683) has the molecular formula C23H22F3N7O3S and a molecular weight of 533.54 g/mol. Its IUPAC name is 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID66778683
Molecular FormulaC23H22F3N7O3S
Molecular Weight533.54 g/mol
Exact Mass533.15
IUPAC Name2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1nc(-c2nc3n(n2)CCN(S(C)(=O)=O)C3c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H22F3N7O3S/c1-14-12-31(13-27-14)18-9-8-17(28-22(18)36-2)20-29-21-19(15-4-6-16(7-5-15)23(24,25)26)33(37(3,34)35)11-10-32(21)30-20/h4-9,12-13,19H,10-11H2,1-3H3
InChIKeyUOJDUFRAJBETKM-UHFFFAOYSA-N
XLogP3.23
TPSA108.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.54
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 66778683) is 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is COc1nc(-c2nc3n(n2)CCN(S(C)(=O)=O)C3c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is UOJDUFRAJBETKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O3S/c1-14-12-31(13-27-14)18-9-8-17(28-22(18)36-2)20-29-21-19(15-4-6-16(7-5-15)23(24,25)26)33(37(3,34)35)11-10-32(21)30-20/h4-9,12-13,19H,10-11H2,1-3H3.
What are the key properties of 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 533.54 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-7-methylsulfonyl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 66778683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).