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

C46H49Cl3F8N12O9S2 — CID 167609262

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

7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167609262) has the molecular formula C46H49Cl3F8N12O9S2 and a molecular weight of 1236.45 g/mol. Its IUPAC name is 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

• Compound Name: 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• PubChem CID: 167609262
• Molecular Formula: C46H49Cl3F8N12O9S2
• Molecular Weight: 1236.45 g/mol
• Exact Mass: 1234.21
• IUPAC Name: 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• SMILES: CCc1nc2cc(Cl)c(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2cc(Cl)c(C)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cl
• InChI: InChI=1S/C23H23ClF4N6O4S.C12H14F4N4O3S.C11H11ClN2O2.ClH/c1-4-17-20(32-12-13(2)15(24)10-19(32)30-17)21(35)29-11-14-5-6-18(16(25)9-14)33-7-8-34(22(31-33)38-3)39(36,37)23(26,27)28;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;1-3-8-10(11(15)16)14-5-6(2)7(12)4-9(14)13-8;/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,29,35);2-3,6H,4-5,7,17H2,1H3;4-5H,3H2,1-2H3,(H,15,16);1H
• InChIKey: RFSGFGUMUWAQBB-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 251.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1236.45
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167609262) is 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

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

The canonical SMILES for 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is CCc1nc2cc(Cl)c(C)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2cc(Cl)c(C)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cl.

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

The InChIKey is RFSGFGUMUWAQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF4N6O4S.C12H14F4N4O3S.C11H11ClN2O2.ClH/c1-4-17-20(32-12-13(2)15(24)10-19(32)30-17)21(35)29-11-14-5-6-18(16(25)9-14)33-7-8-34(22(31-33)38-3)39(36,37)23(26,27)28;1-23-11-18-19(10-3-2-8(7-17)6-9(10)13)4-5-20(11)24(21,22)12(14,15)16;1-3-8-10(11(15)16)14-5-6(2)7(12)4-9(14)13-8;/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,29,35);2-3,6H,4-5,7,17H2,1H3;4-5H,3H2,1-2H3,(H,15,16);1H.

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

7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1236.45 g/mol, XLogP of 7.97, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167609262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).