[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride

C42H37ClF14N12O7S2 — CID 167600742

About [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride

[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 167600742) has the molecular formula C42H37ClF14N12O7S2 and a molecular weight of 1187.39 g/mol. Its IUPAC name is [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 167600742
• Molecular Formula: C42H37ClF14N12O7S2
• Molecular Weight: 1187.39 g/mol
• Exact Mass: 1186.18
• IUPAC Name: [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride
• SMILES: Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)n2c1.Cc1ccc2nc(C(F)(F)F)c(C(=O)O)n2c1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
• InChI: InChI=1S/C21H17F7N6O3S.C11H12F4N4O2S.C10H7F3N2O2.ClH/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;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-5-2-3-6-14-8(10(11,12)13)7(9(16)17)15(6)4-5;/h2-5,8,10-11H,6-7,9H2,1H3,(H,29,35);1-2,5,7H,3-4,6,16H2;2-4H,1H3,(H,16,17);1H
• InChIKey: WMIAQYXVZAXEQN-UHFFFAOYSA-N
• XLogP: 7.63
• TPSA: 232.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.39
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride (CID 167600742) is [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride.

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

The canonical SMILES for [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride is Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(N4CCN(S(=O)(=O)C(F)(F)F)C=N4)c(F)c3)n2c1.Cc1ccc2nc(C(F)(F)F)c(C(=O)O)n2c1.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.

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

The InChIKey is WMIAQYXVZAXEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F7N6O3S.C11H12F4N4O2S.C10H7F3N2O2.ClH/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;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-5-2-3-6-14-8(10(11,12)13)7(9(16)17)15(6)4-5;/h2-5,8,10-11H,6-7,9H2,1H3,(H,29,35);1-2,5,7H,3-4,6,16H2;2-4H,1H3,(H,16,17);1H.

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

[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 1187.39 g/mol, XLogP of 7.63, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;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;6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 167600742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).