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

C21H17F7N6O3S — CID 165414018

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

N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165414018) has the molecular formula C21H17F7N6O3S and a molecular weight of 566.46 g/mol. Its IUPAC name is N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165414018
• Molecular Formula: C21H17F7N6O3S
• Molecular Weight: 566.46 g/mol
• Exact Mass: 566.10
• IUPAC Name: N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)n2c1
• InChI: InChI=1S/C21H17F7N6O3S/c1-12-2-5-16-31-18(20(23,24)25)17(33(16)10-12)19(35)29-9-13-3-4-15(14(22)8-13)34-7-6-32(11-30-34)38(36,37)21(26,27)28/h2-5,8,10-11H,6-7,9H2,1H3,(H,29,35)
• InChIKey: GUHKYUOSEOLVDD-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 99.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.46
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 165414018) is N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)n2c1.

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

The InChIKey is GUHKYUOSEOLVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F7N6O3S/c1-12-2-5-16-31-18(20(23,24)25)17(33(16)10-12)19(35)29-9-13-3-4-15(14(22)8-13)34-7-6-32(11-30-34)38(36,37)21(26,27)28/h2-5,8,10-11H,6-7,9H2,1H3,(H,29,35).

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

N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 566.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165414018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).