2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide

C24H26F4N6O6S — CID 165413727

About 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165413727) has the molecular formula C24H26F4N6O6S and a molecular weight of 602.57 g/mol. Its IUPAC name is 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165413727
• Molecular Formula: C24H26F4N6O6S
• Molecular Weight: 602.57 g/mol
• Exact Mass: 602.16
• IUPAC Name: 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2cc(OC)c(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1
• InChI: InChI=1S/C24H26F4N6O6S/c1-5-16-21(32-13-19(39-3)18(38-2)11-20(32)30-16)22(35)29-12-14-6-7-17(15(25)10-14)33-8-9-34(23(31-33)40-4)41(36,37)24(26,27)28/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H,29,35)
• InChIKey: WGJQGLZYDQNYKA-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 127.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.57
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 165413727) is 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(OC)c(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.

What is the InChIKey of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is WGJQGLZYDQNYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N6O6S/c1-5-16-21(32-13-19(39-3)18(38-2)11-20(32)30-16)22(35)29-12-14-6-7-17(15(25)10-14)33-8-9-34(23(31-33)40-4)41(36,37)24(26,27)28/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H,29,35).

What are the key properties of 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide?

2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 602.57 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6,7-dimethoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165413727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).