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

C47H52Cl2F8N12O11S2 — CID 167621974

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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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

7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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 (PubChem CID 167621974) has the molecular formula C47H52Cl2F8N12O11S2 and a molecular weight of 1248.03 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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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.

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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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
• PubChem CID: 167621974
• Molecular Formula: C47H52Cl2F8N12O11S2
• Molecular Weight: 1248.03 g/mol
• Exact Mass: 1246.26
• 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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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
• SMILES: C.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C23H23ClF4N6O5S.C12H14F4N4O3S.C11H11ClN2O3.CH4/c1-4-16-20(32-12-18(38-2)14(24)10-19(32)30-16)21(35)29-11-13-5-6-17(15(25)9-13)33-7-8-34(22(31-33)39-3)40(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;1-3-7-10(11(15)16)14-5-8(17-2)6(12)4-9(14)13-7;/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);1H4
• InChIKey: MOLDRJMKWPVCNA-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 269.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1248.03
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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?

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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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 (CID 167621974) 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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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.

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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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?

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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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 is C.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(OC)=N2)c(F)c1.CCc1nc2cc(Cl)c(OC)cn2c1C(=O)O.COC1=NN(c2ccc(CN)cc2F)CCN1S(=O)(=O)C(F)(F)F.

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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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?

The InChIKey is MOLDRJMKWPVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF4N6O5S.C12H14F4N4O3S.C11H11ClN2O3.CH4/c1-4-16-20(32-12-18(38-2)14(24)10-19(32)30-16)21(35)29-11-13-5-6-17(15(25)9-13)33-7-8-34(22(31-33)39-3)40(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;1-3-7-10(11(15)16)14-5-8(17-2)6(12)4-9(14)13-7;/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);1H4.

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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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?

7-chloro-2-ethyl-N-[[3-fluoro-4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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 has a molecular weight of 1248.03 g/mol, XLogP of 7.58, 13 rotatable bonds, 3 hydrogen bond donors, and 19 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-methoxyimidazo[1,2-a]pyridine-3-carboxamide;7-chloro-2-ethyl-6-methoxyimidazo[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 is sourced from PubChem (CID 167621974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).