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

C22H19F7N6O3S — CID 165126499

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

N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165126499) has the molecular formula C22H19F7N6O3S and a molecular weight of 580.49 g/mol. Its IUPAC name is N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165126499
• Molecular Formula: C22H19F7N6O3S
• Molecular Weight: 580.49 g/mol
• Exact Mass: 580.11
• IUPAC Name: N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCC1=NN(c2ccc(CNC(=O)c3c(C(F)(F)F)nc4ccccn34)cc2F)CCN1S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C22H19F7N6O3S/c1-2-16-32-34(9-10-35(16)39(37,38)22(27,28)29)15-7-6-13(11-14(15)23)12-30-20(36)18-19(21(24,25)26)31-17-5-3-4-8-33(17)18/h3-8,11H,2,9-10,12H2,1H3,(H,30,36)
• InChIKey: YVJOFLAQJIGMDH-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 99.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.49
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 165126499) is N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is CCC1=NN(c2ccc(CNC(=O)c3c(C(F)(F)F)nc4ccccn34)cc2F)CCN1S(=O)(=O)C(F)(F)F.

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

The InChIKey is YVJOFLAQJIGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F7N6O3S/c1-2-16-32-34(9-10-35(16)39(37,38)22(27,28)29)15-7-6-13(11-14(15)23)12-30-20(36)18-19(21(24,25)26)31-17-5-3-4-8-33(17)18/h3-8,11H,2,9-10,12H2,1H3,(H,30,36).

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

N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 580.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165126499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).