6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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

C44H43Cl3F10N12O9S2 — CID 167688537

About 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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

6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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 167688537) has the molecular formula C44H43Cl3F10N12O9S2 and a molecular weight of 1244.38 g/mol. Its IUPAC name is 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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: 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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: 167688537
• Molecular Formula: C44H43Cl3F10N12O9S2
• Molecular Weight: 1244.38 g/mol
• Exact Mass: 1242.16
• IUPAC Name: 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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: CCc1nc2c(F)cc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2c(F)cc(Cl)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cl
• InChI: InChI=1S/C22H20ClF5N6O4S.C12H14F4N4O3S.C10H8ClFN2O2.ClH/c1-3-16-18(32-11-13(23)9-15(25)19(32)30-16)20(35)29-10-12-4-5-17(14(24)8-12)33-6-7-34(21(31-33)38-2)39(36,37)22(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;1-2-7-8(10(15)16)14-4-5(11)3-6(12)9(14)13-7;/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,29,35);2-3,6H,4-5,7,17H2,1H3;3-4H,2H2,1H3,(H,15,16);1H
• InChIKey: XPVJRWOFEOMBLW-UHFFFAOYSA-N
• XLogP: 7.63
• 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	1244.38
LogP ≤ 5	7.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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 167688537) is 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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 CCc1nc2c(F)cc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2c(F)cc(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-8-fluoro-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-ethyl-8-fluoroimidazo[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 XPVJRWOFEOMBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF5N6O4S.C12H14F4N4O3S.C10H8ClFN2O2.ClH/c1-3-16-18(32-11-13(23)9-15(25)19(32)30-16)20(35)29-10-12-4-5-17(14(24)8-12)33-6-7-34(21(31-33)38-2)39(36,37)22(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;1-2-7-8(10(15)16)14-4-5(11)3-6(12)9(14)13-7;/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,29,35);2-3,6H,4-5,7,17H2,1H3;3-4H,2H2,1H3,(H,15,16);1H.

What are the key properties of 6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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?

6-chloro-2-ethyl-8-fluoro-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-ethyl-8-fluoroimidazo[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 1244.38 g/mol, XLogP of 7.63, 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-8-fluoro-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-ethyl-8-fluoroimidazo[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 167688537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).