(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide

C22H30N6O5S — CID 135428687

About (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide

(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 135428687) has the molecular formula C22H30N6O5S and a molecular weight of 490.59 g/mol. Its IUPAC name is (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

• Compound Name: (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide
• PubChem CID: 135428687
• Molecular Formula: C22H30N6O5S
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.20
• IUPAC Name: (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide
• SMILES: CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)ccc3OCC)nn12
• InChI: InChI=1S/C22H30N6O5S/c1-7-9-18-23-13(3)19-21(29)24-20(25-28(18)19)16-12-15(10-11-17(16)33-8-2)34(31,32)26-14(4)22(30)27(5)6/h10-12,14,26H,7-9H2,1-6H3,(H,24,25,29)/t14-/m0/s1
• InChIKey: OIPQAFUHRUKESF-AWEZNQCLSA-N
• XLogP: 1.50
• TPSA: 138.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide (CID 135428687) is (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide.

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

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

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

The InChIKey is OIPQAFUHRUKESF-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H30N6O5S/c1-7-9-18-23-13(3)19-21(29)24-20(25-28(18)19)16-12-15(10-11-17(16)33-8-2)34(31,32)26-14(4)22(30)27(5)6/h10-12,14,26H,7-9H2,1-6H3,(H,24,25,29)/t14-/m0/s1.

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

(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 490.59 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 135428687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).