N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide

C19H20F3N5O4S2 — CID 142465539

About N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide

N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide (PubChem CID 142465539) has the molecular formula C19H20F3N5O4S2 and a molecular weight of 503.53 g/mol. Its IUPAC name is N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide
• PubChem CID: 142465539
• Molecular Formula: C19H20F3N5O4S2
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.09
• IUPAC Name: N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide
• SMILES: CCS(=O)(=O)c1cc(C(=O)N=S(C)(=O)CC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C19H20F3N5O4S2/c1-5-32(4,29)26-18(28)11-7-14(33(30,31)6-2)16(24-9-11)17-25-12-8-15(19(20,21)22)23-10-13(12)27(17)3/h7-10H,5-6H2,1-4H3
• InChIKey: AENNBYPUOCGGTI-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 124.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide (CID 142465539) is N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide is CCS(=O)(=O)c1cc(C(=O)N=S(C)(=O)CC)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide?

The InChIKey is AENNBYPUOCGGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O4S2/c1-5-32(4,29)26-18(28)11-7-14(33(30,31)6-2)16(24-9-11)17-25-12-8-15(19(20,21)22)23-10-13(12)27(17)3/h7-10H,5-6H2,1-4H3.

What are the key properties of N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide?

N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(ethyl-methyl-oxo-λ6-sulfanylidene)-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142465539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).