N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid

C42H38N10O8 — CID 172962600

About N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid

N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid (PubChem CID 172962600) has the molecular formula C42H38N10O8 and a molecular weight of 810.83 g/mol. Its IUPAC name is N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid.

Molecular Properties

• Compound Name: N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid
• PubChem CID: 172962600
• Molecular Formula: C42H38N10O8
• Molecular Weight: 810.83 g/mol
• Exact Mass: 810.29
• IUPAC Name: N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid
• SMILES: Cc1ccc(-c2noc(C3CC(=O)C3)n2)cc1NC(=O)c1cnc2ccccn12.Cc1ccc(/C(N)=N/O)cc1NC(=O)c1cnc2ccccn12.O=C1CC(C(=O)O)C1
• InChI: InChI=1S/C21H17N5O3.C16H15N5O2.C5H6O3/c1-12-5-6-13(19-24-21(29-25-19)14-8-15(27)9-14)10-16(12)23-20(28)17-11-22-18-4-2-3-7-26(17)18;1-10-5-6-11(15(17)20-23)8-12(10)19-16(22)13-9-18-14-4-2-3-7-21(13)14;6-4-1-3(2-4)5(7)8/h2-7,10-11,14H,8-9H2,1H3,(H,23,28);2-9,23H,1H3,(H2,17,20)(H,19,22);3H,1-2H2,(H,7,8)
• InChIKey: CCVJGVQOTOALFC-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 261.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	810.83
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid?

The IUPAC name of N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid (CID 172962600) is N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid.

What is the SMILES notation for N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid?

The canonical SMILES for N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid is Cc1ccc(-c2noc(C3CC(=O)C3)n2)cc1NC(=O)c1cnc2ccccn12.Cc1ccc(/C(N)=N/O)cc1NC(=O)c1cnc2ccccn12.O=C1CC(C(=O)O)C1.

What is the InChIKey of N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid?

The InChIKey is CCVJGVQOTOALFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3.C16H15N5O2.C5H6O3/c1-12-5-6-13(19-24-21(29-25-19)14-8-15(27)9-14)10-16(12)23-20(28)17-11-22-18-4-2-3-7-26(17)18;1-10-5-6-11(15(17)20-23)8-12(10)19-16(22)13-9-18-14-4-2-3-7-21(13)14;6-4-1-3(2-4)5(7)8/h2-7,10-11,14H,8-9H2,1H3,(H,23,28);2-9,23H,1H3,(H2,17,20)(H,19,22);3H,1-2H2,(H,7,8).

What are the key properties of N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid?

N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid has a molecular weight of 810.83 g/mol, XLogP of 5.43, 8 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[2-methyl-5-[5-(3-oxocyclobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide;3-oxocyclobutane-1-carboxylic acid is sourced from PubChem (CID 172962600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).