[3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid

C26H28N6O6 — CID 71291749

About [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid

[3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid (PubChem CID 71291749) has the molecular formula C26H28N6O6 and a molecular weight of 520.55 g/mol. Its IUPAC name is [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid.

Molecular Properties

• Compound Name: [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid
• PubChem CID: 71291749
• Molecular Formula: C26H28N6O6
• Molecular Weight: 520.55 g/mol
• Exact Mass: 520.21
• IUPAC Name: [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid
• SMILES: Cc1ccc(-c2noc(CNC(=O)O)n2)cc1NC(=O)c1cnc2ccc(CCC(=O)OC(C)(C)C)cn12
• InChI: InChI=1S/C26H28N6O6/c1-15-5-8-17(23-30-21(38-31-23)13-28-25(35)36)11-18(15)29-24(34)19-12-27-20-9-6-16(14-32(19)20)7-10-22(33)37-26(2,3)4/h5-6,8-9,11-12,14,28H,7,10,13H2,1-4H3,(H,29,34)(H,35,36)
• InChIKey: ASEVDAGCUYVAKZ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 160.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid?

The IUPAC name of [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid (CID 71291749) is [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid.

What is the SMILES notation for [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid?

The canonical SMILES for [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid is Cc1ccc(-c2noc(CNC(=O)O)n2)cc1NC(=O)c1cnc2ccc(CCC(=O)OC(C)(C)C)cn12.

What is the InChIKey of [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid?

The InChIKey is ASEVDAGCUYVAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O6/c1-15-5-8-17(23-30-21(38-31-23)13-28-25(35)36)11-18(15)29-24(34)19-12-27-20-9-6-16(14-32(19)20)7-10-22(33)37-26(2,3)4/h5-6,8-9,11-12,14,28H,7,10,13H2,1-4H3,(H,29,34)(H,35,36).

What are the key properties of [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid?

[3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid has a molecular weight of 520.55 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid is sourced from PubChem (CID 71291749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).