6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride

C45H49Cl3F8N12O9S2 — CID 167603324

About 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride

6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride (PubChem CID 167603324) has the molecular formula C45H49Cl3F8N12O9S2 and a molecular weight of 1224.44 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride
• PubChem CID: 167603324
• Molecular Formula: C45H49Cl3F8N12O9S2
• Molecular Weight: 1224.44 g/mol
• Exact Mass: 1222.21
• IUPAC Name: 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride
• SMILES: C.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cl
• InChI: InChI=1S/C22H21ClF4N6O4S.C12H14F4N4O3S.C10H9ClN2O2.CH4.ClH/c1-3-16-19(31-12-14(23)5-7-18(31)29-16)20(34)28-11-13-4-6-17(15(24)10-13)32-8-9-33(21(30-32)37-2)38(35,36)22(25,26)27;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;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;;/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,28,34);2-3,6H,4-5,7,17H2,1H3;3-5H,2H2,1H3,(H,14,15);1H4;1H
• InChIKey: KDHHBRMFHZFFOT-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 251.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.44
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride (CID 167603324) is 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride.

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

The canonical SMILES for 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride is C.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2ccc(Cl)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cl.

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

The InChIKey is KDHHBRMFHZFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF4N6O4S.C12H14F4N4O3S.C10H9ClN2O2.CH4.ClH/c1-3-16-19(31-12-14(23)5-7-18(31)29-16)20(34)28-11-13-4-6-17(15(24)10-13)32-8-9-33(21(30-32)37-2)38(35,36)22(25,26)27;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;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;;/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,28,34);2-3,6H,4-5,7,17H2,1H3;3-5H,2H2,1H3,(H,14,15);1H4;1H.

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

6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride has a molecular weight of 1224.44 g/mol, XLogP of 7.99, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[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;methane;hydrochloride is sourced from PubChem (CID 167603324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).