2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C20H17ClF3N7OS — CID 129184260

About 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 129184260) has the molecular formula C20H17ClF3N7OS and a molecular weight of 495.92 g/mol. Its IUPAC name is 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
• PubChem CID: 129184260
• Molecular Formula: C20H17ClF3N7OS
• Molecular Weight: 495.92 g/mol
• Exact Mass: 495.09
• IUPAC Name: 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
• SMILES: CCSc1cc(-n2cnc(Cl)n2)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C
• InChI: InChI=1S/C20H17ClF3N7OS/c1-3-33-13-6-11(30-9-26-19(21)28-30)8-25-15(13)17-27-12-7-14(20(22,23)24)31(10-4-5-10)18(32)16(12)29(17)2/h6-10H,3-5H2,1-2H3
• InChIKey: HMIGBHSFLQJWLI-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 83.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.92
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?

The IUPAC name of 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 129184260) is 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

What is the SMILES notation for 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?

The canonical SMILES for 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCSc1cc(-n2cnc(Cl)n2)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.

What is the InChIKey of 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?

The InChIKey is HMIGBHSFLQJWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N7OS/c1-3-33-13-6-11(30-9-26-19(21)28-30)8-25-15(13)17-27-12-7-14(20(22,23)24)31(10-4-5-10)18(32)16(12)29(17)2/h6-10H,3-5H2,1-2H3.

What are the key properties of 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?

2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 495.92 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfanyl-2-pyridinyl]-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 129184260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).