2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C24H23F3N6O2S — CID 170050095

About 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 170050095) has the molecular formula C24H23F3N6O2S and a molecular weight of 516.55 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
• PubChem CID: 170050095
• Molecular Formula: C24H23F3N6O2S
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.16
• IUPAC Name: 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
• SMILES: CCS(=O)(=O)c1cc(-c2nc(C)cc(C3CC3C)n2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C24H23F3N6O2S/c1-5-36(34,35)19-8-14(22-30-13(3)7-16(31-22)15-6-12(15)2)10-29-21(19)23-32-17-9-20(24(25,26)27)28-11-18(17)33(23)4/h7-12,15H,5-6H2,1-4H3
• InChIKey: BONZUFQNAOJEHU-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 103.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?

The IUPAC name of 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 170050095) is 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?

The canonical SMILES for 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2nc(C)cc(C3CC3C)n2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?

The InChIKey is BONZUFQNAOJEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2S/c1-5-36(34,35)19-8-14(22-30-13(3)7-16(31-22)15-6-12(15)2)10-29-21(19)23-32-17-9-20(24(25,26)27)28-11-18(17)33(23)4/h7-12,15H,5-6H2,1-4H3.

What are the key properties of 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?

2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 516.55 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-ethylsulfonyl-5-[4-methyl-6-(2-methylcyclopropyl)pyrimidin-2-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 170050095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).