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

C23H23ClF4N6O5S — CID 165413723

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

7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165413723) has the molecular formula C23H23ClF4N6O5S and a molecular weight of 606.99 g/mol. Its IUPAC name is 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165413723
• Molecular Formula: C23H23ClF4N6O5S
• Molecular Weight: 606.99 g/mol
• Exact Mass: 606.11
• IUPAC Name: 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2cc(Cl)c(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1
• InChI: InChI=1S/C23H23ClF4N6O5S/c1-4-16-20(32-12-18(38-2)14(24)10-19(32)30-16)21(35)29-11-13-5-6-17(15(25)9-13)33-7-8-34(22(31-33)39-3)40(36,37)23(26,27)28/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,29,35)
• InChIKey: KVJXRQLUZTUXJG-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 117.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.99
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide (CID 165413723) is 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide.

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

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

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

The InChIKey is KVJXRQLUZTUXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF4N6O5S/c1-4-16-20(32-12-18(38-2)14(24)10-19(32)30-16)21(35)29-11-13-5-6-17(15(25)9-13)33-7-8-34(22(31-33)39-3)40(36,37)23(26,27)28/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,29,35).

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

7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 606.99 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165413723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).