6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane

C42H41Cl2F10N13O7S2 — CID 167624431

About 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane

6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane (PubChem CID 167624431) has the molecular formula C42H41Cl2F10N13O7S2 and a molecular weight of 1164.89 g/mol. Its IUPAC name is 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane.

Molecular Properties

• Compound Name: 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane
• PubChem CID: 167624431
• Molecular Formula: C42H41Cl2F10N13O7S2
• Molecular Weight: 1164.89 g/mol
• Exact Mass: 1163.19
• IUPAC Name: 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane
• SMILES: C.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ncc(Cl)cn2c1C(=O)O.NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1
• InChI: InChI=1S/C21H18ClF5N6O3S.C11H11F5N4O2S.C9H8ClN3O2.CH4/c1-2-16-19(32-10-13(22)3-4-17(32)30-16)20(34)28-9-12-7-14(23)18(15(24)8-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27;12-8-3-7(5-17)4-9(13)10(8)20-2-1-19(6-18-20)23(21,22)11(14,15)16;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34);3-4,6H,1-2,5,17H2;3-4H,2H2,1H3,(H,14,15);1H4
• InChIKey: MWXVBWDVEMUEDL-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 245.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1164.89
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane?

The IUPAC name of 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane (CID 167624431) is 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane.

What is the SMILES notation for 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane?

The canonical SMILES for 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane is C.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.CCc1nc2ncc(Cl)cn2c1C(=O)O.NCc1cc(F)c(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.

What is the InChIKey of 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane?

The InChIKey is MWXVBWDVEMUEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF5N6O3S.C11H11F5N4O2S.C9H8ClN3O2.CH4/c1-2-16-19(32-10-13(22)3-4-17(32)30-16)20(34)28-9-12-7-14(23)18(15(24)8-12)33-6-5-31(11-29-33)37(35,36)21(25,26)27;12-8-3-7(5-17)4-9(13)10(8)20-2-1-19(6-18-20)23(21,22)11(14,15)16;1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,28,34);3-4,6H,1-2,5,17H2;3-4H,2H2,1H3,(H,14,15);1H4.

What are the key properties of 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane?

6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane has a molecular weight of 1164.89 g/mol, XLogP of 7.29, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;[3,5-difluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;methane is sourced from PubChem (CID 167624431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).