2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C18H16F3N7O4S — CID 134466883

About 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 134466883) has the molecular formula C18H16F3N7O4S and a molecular weight of 483.43 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
• PubChem CID: 134466883
• Molecular Formula: C18H16F3N7O4S
• Molecular Weight: 483.43 g/mol
• Exact Mass: 483.09
• IUPAC Name: 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
• SMILES: CCS(=O)(=O)c1ccc(-n2nccn2)nc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C
• InChI: InChI=1S/C18H16F3N7O4S/c1-4-33(30,31)11-5-6-13(28-22-7-8-23-28)25-14(11)16-24-10-9-12(18(19,20)21)27(32-3)17(29)15(10)26(16)2/h5-9H,4H2,1-3H3
• InChIKey: HEZZFHKENFVSNS-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 126.79 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.43
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?

The IUPAC name of 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 134466883) is 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

What is the SMILES notation for 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?

The canonical SMILES for 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCS(=O)(=O)c1ccc(-n2nccn2)nc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C.

What is the InChIKey of 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?

The InChIKey is HEZZFHKENFVSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O4S/c1-4-33(30,31)11-5-6-13(28-22-7-8-23-28)25-14(11)16-24-10-9-12(18(19,20)21)27(32-3)17(29)15(10)26(16)2/h5-9H,4H2,1-3H3.

What are the key properties of 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?

2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 483.43 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 134466883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).