cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane

C19H20F3N5O3S2 — CID 146208759

About cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane

cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane (PubChem CID 146208759) has the molecular formula C19H20F3N5O3S2 and a molecular weight of 487.53 g/mol. Its IUPAC name is cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane.

Molecular Properties

• Compound Name: cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane
• PubChem CID: 146208759
• Molecular Formula: C19H20F3N5O3S2
• Molecular Weight: 487.53 g/mol
• Exact Mass: 487.10
• IUPAC Name: cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane
• SMILES: CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C19H20F3N5O3S2/c1-4-32(29,30)15-7-11(26-31(3,28)12-5-6-12)9-24-17(15)18-25-13-8-16(19(20,21)22)23-10-14(13)27(18)2/h7-10,12H,4-6H2,1-3H3
• InChIKey: MSKYSMYQHBNLKS-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 107.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.53
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane?

The IUPAC name of cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane (CID 146208759) is cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane.

What is the SMILES notation for cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane?

The canonical SMILES for cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane is CCS(=O)(=O)c1cc(N=S(C)(=O)C2CC2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane?

The InChIKey is MSKYSMYQHBNLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S2/c1-4-32(29,30)15-7-11(26-31(3,28)12-5-6-12)9-24-17(15)18-25-13-8-16(19(20,21)22)23-10-14(13)27(18)2/h7-10,12H,4-6H2,1-3H3.

What are the key properties of cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane?

cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane has a molecular weight of 487.53 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 146208759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).