3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide

C29H23N7O4 — CID 68872238

About 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 68872238) has the molecular formula C29H23N7O4 and a molecular weight of 533.55 g/mol. Its IUPAC name is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
• PubChem CID: 68872238
• Molecular Formula: C29H23N7O4
• Molecular Weight: 533.55 g/mol
• Exact Mass: 533.18
• IUPAC Name: 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
• SMILES: Nc1nonc1-c1nc2cnc(Oc3cccc(C(=O)NCCc4ccc(O)cc4)c3)cc2n1-c1ccccc1
• InChI: InChI=1S/C29H23N7O4/c30-27-26(34-40-35-27)28-33-23-17-32-25(16-24(23)36(28)20-6-2-1-3-7-20)39-22-8-4-5-19(15-22)29(38)31-14-13-18-9-11-21(37)12-10-18/h1-12,15-17,37H,13-14H2,(H2,30,35)(H,31,38)
• InChIKey: NDYWESAEMYRKKH-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 154.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.55
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide?

The IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide (CID 68872238) is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

What is the SMILES notation for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide?

The canonical SMILES for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide is Nc1nonc1-c1nc2cnc(Oc3cccc(C(=O)NCCc4ccc(O)cc4)c3)cc2n1-c1ccccc1.

What is the InChIKey of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide?

The InChIKey is NDYWESAEMYRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N7O4/c30-27-26(34-40-35-27)28-33-23-17-32-25(16-24(23)36(28)20-6-2-1-3-7-20)39-22-8-4-5-19(15-22)29(38)31-14-13-18-9-11-21(37)12-10-18/h1-12,15-17,37H,13-14H2,(H2,30,35)(H,31,38).

What are the key properties of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide?

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide has a molecular weight of 533.55 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 68872238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).