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

C24H26ClF3N6O4S — CID 165414139

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

6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165414139) has the molecular formula C24H26ClF3N6O4S and a molecular weight of 587.02 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165414139
• Molecular Formula: C24H26ClF3N6O4S
• Molecular Weight: 587.02 g/mol
• Exact Mass: 586.14
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCOC)=N2)cc1
• InChI: InChI=1S/C24H26ClF3N6O4S/c1-3-19-22(32-15-17(25)6-9-20(32)30-19)23(35)29-14-16-4-7-18(8-5-16)33-11-12-34(21(31-33)10-13-38-2)39(36,37)24(26,27)28/h4-9,15H,3,10-14H2,1-2H3,(H,29,35)
• InChIKey: MWDBAGRYDXDEKW-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 108.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.02
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165414139) is 6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(CCOC)=N2)cc1.

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

The InChIKey is MWDBAGRYDXDEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N6O4S/c1-3-19-22(32-15-17(25)6-9-20(32)30-19)23(35)29-14-16-4-7-18(8-5-16)33-11-12-34(21(31-33)10-13-38-2)39(36,37)24(26,27)28/h4-9,15H,3,10-14H2,1-2H3,(H,29,35).

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

6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 587.02 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[4-[3-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165414139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).