8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C15H21N5O4S — CID 90090244

About 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90090244) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90090244
• Molecular Formula: C15H21N5O4S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.13
• IUPAC Name: 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCOc1cccn2c(C(=O)N[C@H]3CCN(S(N)(=O)=O)C3)c(C)nc12
• InChI: InChI=1S/C15H21N5O4S/c1-3-24-12-5-4-7-20-13(10(2)17-14(12)20)15(21)18-11-6-8-19(9-11)25(16,22)23/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,18,21)(H2,16,22,23)/t11-/m0/s1
• InChIKey: JAGBMQABVBIVKJ-NSHDSACASA-N
• XLogP: 0.05
• TPSA: 119.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90090244) is 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCOc1cccn2c(C(=O)N[C@H]3CCN(S(N)(=O)=O)C3)c(C)nc12.

What is the InChIKey of 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is JAGBMQABVBIVKJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-3-24-12-5-4-7-20-13(10(2)17-14(12)20)15(21)18-11-6-8-19(9-11)25(16,22)23/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,18,21)(H2,16,22,23)/t11-/m0/s1.

What are the key properties of 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethoxy-2-methyl-N-[(3S)-1-sulfamoylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90090244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).