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

C24H19F6N5O3S — CID 129183411

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

5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 129183411) has the molecular formula C24H19F6N5O3S and a molecular weight of 571.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: 5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
• PubChem CID: 129183411
• Molecular Formula: C24H19F6N5O3S
• Molecular Weight: 571.50 g/mol
• Exact Mass: 571.11
• IUPAC Name: 5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
• SMILES: CCS(=O)(=O)c1cc(-c2cc(C(F)(F)F)ccn2)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C
• InChI: InChI=1S/C24H19F6N5O3S/c1-3-39(37,38)17-8-12(15-9-13(6-7-31-15)23(25,26)27)11-32-19(17)21-33-16-10-18(24(28,29)30)35(14-4-5-14)22(36)20(16)34(21)2/h6-11,14H,3-5H2,1-2H3
• InChIKey: DRSVWIMXOMVCEE-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 99.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.50
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 129183411) is 5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

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

The canonical SMILES for 5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCS(=O)(=O)c1cc(-c2cc(C(F)(F)F)ccn2)cnc1-c1nc2cc(C(F)(F)F)n(C3CC3)c(=O)c2n1C.

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

The InChIKey is DRSVWIMXOMVCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5O3S/c1-3-39(37,38)17-8-12(15-9-13(6-7-31-15)23(25,26)27)11-32-19(17)21-33-16-10-18(24(28,29)30)35(14-4-5-14)22(36)20(16)34(21)2/h6-11,14H,3-5H2,1-2H3.

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

5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 571.50 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 129183411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).