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

C28H24F3N7O3S — CID 70227340

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

(8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 70227340) has the molecular formula C28H24F3N7O3S and a molecular weight of 595.61 g/mol. Its IUPAC name is (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

• Compound Name: (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
• PubChem CID: 70227340
• Molecular Formula: C28H24F3N7O3S
• Molecular Weight: 595.61 g/mol
• Exact Mass: 595.16
• IUPAC Name: (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
• SMILES: COc1nc(-c2nc3n(n2)CCN(S(=O)(=O)c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C28H24F3N7O3S/c1-18-16-36(17-32-18)23-13-12-22(33-27(23)41-2)25-34-26-24(19-8-10-20(11-9-19)28(29,30)31)38(15-14-37(26)35-25)42(39,40)21-6-4-3-5-7-21/h3-13,16-17,24H,14-15H2,1-2H3/t24-/m1/s1
• InChIKey: KGEQYJGXASLJOF-XMMPIXPASA-N
• XLogP: 4.66
• TPSA: 108.03 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.61
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?

The IUPAC name of (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 70227340) is (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

What is the SMILES notation for (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?

The canonical SMILES for (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is COc1nc(-c2nc3n(n2)CCN(S(=O)(=O)c2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1.

What is the InChIKey of (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?

The InChIKey is KGEQYJGXASLJOF-XMMPIXPASA-N. The full InChI is InChI=1S/C28H24F3N7O3S/c1-18-16-36(17-32-18)23-13-12-22(33-27(23)41-2)25-34-26-24(19-8-10-20(11-9-19)28(29,30)31)38(15-14-37(26)35-25)42(39,40)21-6-4-3-5-7-21/h3-13,16-17,24H,14-15H2,1-2H3/t24-/m1/s1.

What are the key properties of (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?

(8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 595.61 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-7-(benzenesulfonyl)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 70227340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).