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

C80H94Cl2F12N22O14S4 — CID 167545347

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

2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride (PubChem CID 167545347) has the molecular formula C80H94Cl2F12N22O14S4 and a molecular weight of 2014.92 g/mol. Its IUPAC name is 2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride.

Molecular Properties

• Compound Name: 2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride
• PubChem CID: 167545347
• Molecular Formula: C80H94Cl2F12N22O14S4
• Molecular Weight: 2014.92 g/mol
• Exact Mass: 2012.54
• IUPAC Name: 2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride
• SMILES: C.CCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.CCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2cc(C)ccn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.Cl.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
• InChI: InChI=1S/C23H25F3N6O4S.C22H23F3N6O3S.C12H15F3N4O3S.C11H13F3N4O2S.C11H12N2O2.CH4.2ClH/c1-4-18-20(30-10-9-15(2)13-19(30)28-18)21(33)27-14-16-5-7-17(8-6-16)31-11-12-32(22(29-31)36-3)37(34,35)23(24,25)26;1-3-18-20(30-9-8-15(2)12-19(30)28-18)21(32)26-13-16-4-6-17(7-5-16)31-11-10-29(14-27-31)35(33,34)22(23,24)25;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-3-8-10(11(14)15)13-5-4-7(2)6-9(13)12-8;;;/h5-10,13H,4,11-12,14H2,1-3H3,(H,27,33);4-9,12,14H,3,10-11,13H2,1-2H3,(H,26,32);2-5H,6-8,16H2,1H3;1-4,8H,5-7,15H2;4-6H,3H2,1-2H3,(H,14,15);1H4;2*1H
• InChIKey: BOMXPZZQVIWUGG-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 429.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.92
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of 2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride (CID 167545347) is 2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride.

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

The canonical SMILES for 2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride is C.CCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)cc1.CCc1nc2cc(C)ccn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.CCc1nc2cc(C)ccn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2)CCN1S(=O)(=O)C(F)(F)F.Cl.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.

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

The InChIKey is BOMXPZZQVIWUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O4S.C22H23F3N6O3S.C12H15F3N4O3S.C11H13F3N4O2S.C11H12N2O2.CH4.2ClH/c1-4-18-20(30-10-9-15(2)13-19(30)28-18)21(33)27-14-16-5-7-17(8-6-16)31-11-12-32(22(29-31)36-3)37(34,35)23(24,25)26;1-3-18-20(30-9-8-15(2)12-19(30)28-18)21(32)26-13-16-4-6-17(7-5-16)31-11-10-29(14-27-31)35(33,34)22(23,24)25;1-22-11-17-18(10-4-2-9(8-16)3-5-10)6-7-19(11)23(20,21)12(13,14)15;12-11(13,14)21(19,20)17-5-6-18(16-8-17)10-3-1-9(7-15)2-4-10;1-3-8-10(11(14)15)13-5-4-7(2)6-9(13)12-8;;;/h5-10,13H,4,11-12,14H2,1-3H3,(H,27,33);4-9,12,14H,3,10-11,13H2,1-2H3,(H,26,32);2-5H,6-8,16H2,1H3;1-4,8H,5-7,15H2;4-6H,3H2,1-2H3,(H,14,15);1H4;2*1H.

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

2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride has a molecular weight of 2014.92 g/mol, XLogP of 11.55, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-ethyl-7-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane;[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 167545347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).