6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

C42H39Cl3F10N12O7S2 — CID 167597986

About 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167597986) has the molecular formula C42H39Cl3F10N12O7S2 and a molecular weight of 1184.32 g/mol. Its IUPAC name is 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• PubChem CID: 167597986
• Molecular Formula: C42H39Cl3F10N12O7S2
• Molecular Weight: 1184.32 g/mol
• Exact Mass: 1182.14
• IUPAC Name: 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• SMILES: CCc1nc2cc(F)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2cc(F)c(Cl)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
• InChI: InChI=1S/C21H18ClF5N6O3S.C11H12F4N4O2S.C10H8ClFN2O2.ClH/c1-2-16-19(32-10-13(22)14(23)8-18(32)30-16)20(34)28-9-12-3-4-17(15(24)7-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-2-7-9(10(15)16)14-4-5(11)6(12)3-8(14)13-7;/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34);1-2,5,7H,3-4,6,16H2;3-4H,2H2,1H3,(H,15,16);1H
• InChIKey: PEYXTZFFZJPDRE-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 232.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.32
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The IUPAC name of 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167597986) is 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

What is the SMILES notation for 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The canonical SMILES for 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is CCc1nc2cc(F)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2cc(F)c(Cl)cn2c1C(=O)O.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.

What is the InChIKey of 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The InChIKey is PEYXTZFFZJPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF5N6O3S.C11H12F4N4O2S.C10H8ClFN2O2.ClH/c1-2-16-19(32-10-13(22)14(23)8-18(32)30-16)20(34)28-9-12-3-4-17(15(24)7-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;1-2-7-9(10(15)16)14-4-5(11)6(12)3-8(14)13-7;/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34);1-2,5,7H,3-4,6,16H2;3-4H,2H2,1H3,(H,15,16);1H.

What are the key properties of 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1184.32 g/mol, XLogP of 7.68, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-7-fluoro-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167597986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).