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

C23H27ClN6O4S — CID 165414150

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

6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165414150) has the molecular formula C23H27ClN6O4S and a molecular weight of 519.03 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-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-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165414150
• Molecular Formula: C23H27ClN6O4S
• Molecular Weight: 519.03 g/mol
• Exact Mass: 518.15
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-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)CCOC)C=N2)cc1
• InChI: InChI=1S/C23H27ClN6O4S/c1-3-20-22(29-15-18(24)6-9-21(29)27-20)23(31)25-14-17-4-7-19(8-5-17)30-11-10-28(16-26-30)35(32,33)13-12-34-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,25,31)
• InChIKey: JEVBFLDZHGRLDD-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 108.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.03
LogP ≤ 5	2.52
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-[4-(2-methoxyethylsulfonyl)-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-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165414150) is 6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-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-[4-(2-methoxyethylsulfonyl)-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-[4-(2-methoxyethylsulfonyl)-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)CCOC)C=N2)cc1.

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

The InChIKey is JEVBFLDZHGRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O4S/c1-3-20-22(29-15-18(24)6-9-21(29)27-20)23(31)25-14-17-4-7-19(8-5-17)30-11-10-28(16-26-30)35(32,33)13-12-34-2/h4-9,15-16H,3,10-14H2,1-2H3,(H,25,31).

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

6-chloro-2-ethyl-N-[[4-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 519.03 g/mol, XLogP of 2.52, 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-[4-(2-methoxyethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165414150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).