N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide

C26H24ClN7O2 — CID 171803442

About N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide

N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 171803442) has the molecular formula C26H24ClN7O2 and a molecular weight of 501.98 g/mol. Its IUPAC name is N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide
• PubChem CID: 171803442
• Molecular Formula: C26H24ClN7O2
• Molecular Weight: 501.98 g/mol
• Exact Mass: 501.17
• IUPAC Name: N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide
• SMILES: CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccccc5N)[nH]c34)cc2Cl)n1
• InChI: InChI=1S/C26H24ClN7O2/c1-26(2,3)25-33-24(36-34-25)23(35)30-13-15-9-8-14(12-18(15)27)16-10-11-29-22-20(16)31-21(32-22)17-6-4-5-7-19(17)28/h4-12H,13,28H2,1-3H3,(H,30,35)(H,29,31,32)
• InChIKey: GEWREJKNQWRJKZ-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 135.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.98
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide?

The IUPAC name of N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide (CID 171803442) is N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide.

What is the SMILES notation for N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide?

The canonical SMILES for N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide is CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4nc(-c5ccccc5N)[nH]c34)cc2Cl)n1.

What is the InChIKey of N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide?

The InChIKey is GEWREJKNQWRJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O2/c1-26(2,3)25-33-24(36-34-25)23(35)30-13-15-9-8-14(12-18(15)27)16-10-11-29-22-20(16)31-21(32-22)17-6-4-5-7-19(17)28/h4-12H,13,28H2,1-3H3,(H,30,35)(H,29,31,32).

What are the key properties of N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide?

N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 501.98 g/mol, XLogP of 5.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(2-aminophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-2-chlorophenyl]methyl]-3-tert-butyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 171803442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).