6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide

C24H22ClF5N6O3S — CID 165126351

About 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide

6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 165126351) has the molecular formula C24H22ClF5N6O3S and a molecular weight of 604.99 g/mol. Its IUPAC name is 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 165126351
• Molecular Formula: C24H22ClF5N6O3S
• Molecular Weight: 604.99 g/mol
• Exact Mass: 604.11
• IUPAC Name: 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2c(F)cc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(C3CC3)=N2)c(F)c1
• InChI: InChI=1S/C24H22ClF5N6O3S/c1-2-18-20(34-12-15(25)10-17(27)22(34)32-18)23(37)31-11-13-3-6-19(16(26)9-13)35-7-8-36(21(33-35)14-4-5-14)40(38,39)24(28,29)30/h3,6,9-10,12,14H,2,4-5,7-8,11H2,1H3,(H,31,37)
• InChIKey: NNGKMQVCCISFAT-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 99.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.99
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide (CID 165126351) is 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2c(F)cc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C(C3CC3)=N2)c(F)c1.

What is the InChIKey of 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is NNGKMQVCCISFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF5N6O3S/c1-2-18-20(34-12-15(25)10-17(27)22(34)32-18)23(37)31-11-13-3-6-19(16(26)9-13)35-7-8-36(21(33-35)14-4-5-14)40(38,39)24(28,29)30/h3,6,9-10,12,14H,2,4-5,7-8,11H2,1H3,(H,31,37).

What are the key properties of 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 604.99 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[[4-[3-cyclopropyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]-3-fluorophenyl]methyl]-2-ethyl-8-fluoroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 165126351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).