1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide

C24H32N6O5S — CID 135520374

About 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide

1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide (PubChem CID 135520374) has the molecular formula C24H32N6O5S and a molecular weight of 516.62 g/mol. Its IUPAC name is 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide
• PubChem CID: 135520374
• Molecular Formula: C24H32N6O5S
• Molecular Weight: 516.62 g/mol
• Exact Mass: 516.22
• IUPAC Name: 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide
• SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)C4(C(=O)N(C)C)CC4)ccc3OCC)nn12
• InChI: InChI=1S/C24H32N6O5S/c1-7-9-19-25-15(3)20-22(31)26-21(27-30(19)20)17-14-16(10-11-18(17)35-8-2)36(33,34)29(6)24(12-13-24)23(32)28(4)5/h10-11,14H,7-9,12-13H2,1-6H3,(H,26,27,31)
• InChIKey: WKKHXZOGJOSNOM-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 129.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.62
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide?

The IUPAC name of 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide (CID 135520374) is 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide?

The canonical SMILES for 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)C4(C(=O)N(C)C)CC4)ccc3OCC)nn12.

What is the InChIKey of 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide?

The InChIKey is WKKHXZOGJOSNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5S/c1-7-9-19-25-15(3)20-22(31)26-21(27-30(19)20)17-14-16(10-11-18(17)35-8-2)36(33,34)29(6)24(12-13-24)23(32)28(4)5/h10-11,14H,7-9,12-13H2,1-6H3,(H,26,27,31).

What are the key properties of 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide?

1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide has a molecular weight of 516.62 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 135520374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).