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

C79H100Cl4F8N16O15S2 — CID 167593422

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

6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane (PubChem CID 167593422) has the molecular formula C79H100Cl4F8N16O15S2 and a molecular weight of 1871.70 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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane.

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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane
• PubChem CID: 167593422
• Molecular Formula: C79H100Cl4F8N16O15S2
• Molecular Weight: 1871.70 g/mol
• Exact Mass: 1868.56
• 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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane
• SMILES: C.C.CC1CCCO1.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2cc(C)c(Cl)cn12.CCc1nc2cc(C)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2cc(C)c(Cl)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cc1cc(N)ncc1Cl
• InChI: InChI=1S/C23H23ClF4N6O4S.C13H15ClN2O2.C12H14F4N4O3S.C11H11ClN2O2.C7H12O3.C6H7ClN2.C5H10O.2CH4/c1-4-17-20(32-12-15(24)13(2)9-19(32)30-17)21(35)29-11-14-5-6-18(16(25)10-14)33-7-8-34(22(31-33)38-3)39(36,37)23(26,27)28;1-4-10-12(13(17)18-5-2)16-7-9(14)8(3)6-11(16)15-10;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)14-5-7(12)6(2)4-9(14)13-8;1-3-6(8)5-7(9)10-4-2;1-4-2-6(8)9-3-5(4)7;1-5-3-2-4-6-5;;/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,29,35);6-7H,4-5H2,1-3H3;2-3,6H,4-5,7,17H2,1H3;4-5H,3H2,1-2H3,(H,15,16);3-5H2,1-2H3;2-3H,1H3,(H2,8,9);5H,2-4H2,1H3;2*1H4
• InChIKey: ISHCNFDTEKNCEF-UHFFFAOYSA-N
• XLogP: 15.58
• TPSA: 386.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.70
LogP ≤ 5	15.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane?

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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane (CID 167593422) is 6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane.

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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane?

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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane is C.C.CC1CCCO1.CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2cc(C)c(Cl)cn12.CCc1nc2cc(C)c(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2cc(C)c(Cl)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.Cc1cc(N)ncc1Cl.

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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane?

The InChIKey is ISHCNFDTEKNCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF4N6O4S.C13H15ClN2O2.C12H14F4N4O3S.C11H11ClN2O2.C7H12O3.C6H7ClN2.C5H10O.2CH4/c1-4-17-20(32-12-15(24)13(2)9-19(32)30-17)21(35)29-11-14-5-6-18(16(25)10-14)33-7-8-34(22(31-33)38-3)39(36,37)23(26,27)28;1-4-10-12(13(17)18-5-2)16-7-9(14)8(3)6-11(16)15-10;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)14-5-7(12)6(2)4-9(14)13-8;1-3-6(8)5-7(9)10-4-2;1-4-2-6(8)9-3-5(4)7;1-5-3-2-4-6-5;;/h5-6,9-10,12H,4,7-8,11H2,1-3H3,(H,29,35);6-7H,4-5H2,1-3H3;2-3,6H,4-5,7,17H2,1H3;4-5H,3H2,1-2H3,(H,15,16);3-5H2,1-2H3;2-3H,1H3,(H2,8,9);5H,2-4H2,1H3;2*1H4.

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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane?

6-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane has a molecular weight of 1871.70 g/mol, XLogP of 15.58, 18 rotatable bonds, 4 hydrogen bond donors, and 27 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]-7-methylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid;5-chloro-4-methylpyridin-2-amine;ethyl 6-chloro-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 3-oxopentanoate;[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane;2-methyloxolane is sourced from PubChem (CID 167593422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).