N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H22N6O4 — CID 123789189

About N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123789189) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 123789189
• Molecular Formula: C22H22N6O4
• Molecular Weight: 434.46 g/mol
• Exact Mass: 434.17
• IUPAC Name: N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: COC(O)NC1(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)CC1
• InChI: InChI=1S/C22H22N6O4/c1-13-6-7-14(18-25-20(32-27-18)22(8-9-22)26-21(30)31-2)11-15(13)24-19(29)16-12-23-17-5-3-4-10-28(16)17/h3-7,10-12,21,26,30H,8-9H2,1-2H3,(H,24,29)
• InChIKey: SBLHJUWZRZQQQZ-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 126.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.46
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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 N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 123789189) is N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is COC(O)NC1(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)CC1.

What is the InChIKey of N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is SBLHJUWZRZQQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c1-13-6-7-14(18-25-20(32-27-18)22(8-9-22)26-21(30)31-2)11-15(13)24-19(29)16-12-23-17-5-3-4-10-28(16)17/h3-7,10-12,21,26,30H,8-9H2,1-2H3,(H,24,29).

What are the key properties of N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[1-[[hydroxy(methoxy)methyl]amino]cyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123789189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).