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

C23H24ClF3N6O4S — CID 165413751

About 6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-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-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165413751) has the molecular formula C23H24ClF3N6O4S and a molecular weight of 573.00 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-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-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165413751
• Molecular Formula: C23H24ClF3N6O4S
• Molecular Weight: 573.00 g/mol
• Exact Mass: 572.12
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-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(CCO)=N2)cc1
• InChI: InChI=1S/C23H24ClF3N6O4S/c1-2-18-21(31-14-16(24)5-8-19(31)29-18)22(35)28-13-15-3-6-17(7-4-15)32-10-11-33(20(30-32)9-12-34)38(36,37)23(25,26)27/h3-8,14,34H,2,9-13H2,1H3,(H,28,35)
• InChIKey: HKPRKKMXZMCINC-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 119.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.00
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-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-hydroxyethyl)-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 165413751) is 6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-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-hydroxyethyl)-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-hydroxyethyl)-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(CCO)=N2)cc1.

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

The InChIKey is HKPRKKMXZMCINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6O4S/c1-2-18-21(31-14-16(24)5-8-19(31)29-18)22(35)28-13-15-3-6-17(7-4-15)32-10-11-33(20(30-32)9-12-34)38(36,37)23(25,26)27/h3-8,14,34H,2,9-13H2,1H3,(H,28,35).

What are the key properties of 6-chloro-2-ethyl-N-[[4-[3-(2-hydroxyethyl)-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-hydroxyethyl)-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 573.00 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 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-hydroxyethyl)-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 165413751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).