methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate

C23H24N6O5 — CID 123466377

About methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate

methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate (PubChem CID 123466377) has the molecular formula C23H24N6O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
• PubChem CID: 123466377
• Molecular Formula: C23H24N6O5
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.18
• IUPAC Name: methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
• SMILES: COC(=O)N1CCOCC1c1nc(-c2ccc(C)c(NC(O)c3cnc4ccccn34)c2)no1
• InChI: InChI=1S/C23H24N6O5/c1-14-6-7-15(11-16(14)25-21(30)17-12-24-19-5-3-4-8-28(17)19)20-26-22(34-27-20)18-13-33-10-9-29(18)23(31)32-2/h3-8,11-12,18,21,25,30H,9-10,13H2,1-2H3
• InChIKey: VSBCZSHMFKLWEW-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 127.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?

The IUPAC name of methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate (CID 123466377) is methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate.

What is the SMILES notation for methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?

The canonical SMILES for methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate is COC(=O)N1CCOCC1c1nc(-c2ccc(C)c(NC(O)c3cnc4ccccn34)c2)no1.

What is the InChIKey of methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?

The InChIKey is VSBCZSHMFKLWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5/c1-14-6-7-15(11-16(14)25-21(30)17-12-24-19-5-3-4-8-28(17)19)20-26-22(34-27-20)18-13-33-10-9-29(18)23(31)32-2/h3-8,11-12,18,21,25,30H,9-10,13H2,1-2H3.

What are the key properties of methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate?

methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate has a molecular weight of 464.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-[3-[[hydroxy(imidazo[1,2-a]pyridin-3-yl)methyl]amino]-4-methylphenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate is sourced from PubChem (CID 123466377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).