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

C28H24N8O3 — CID 68872441

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

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide (PubChem CID 68872441) has the molecular formula C28H24N8O3 and a molecular weight of 520.55 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-(1-methylpyrrol-2-yl)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-(1-methylpyrrol-2-yl)ethyl]benzamide
• PubChem CID: 68872441
• Molecular Formula: C28H24N8O3
• Molecular Weight: 520.55 g/mol
• Exact Mass: 520.20
• IUPAC Name: 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
• SMILES: Cn1cccc1CCNC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccccc2)c1
• InChI: InChI=1S/C28H24N8O3/c1-35-14-6-10-19(35)12-13-30-28(37)18-7-5-11-21(15-18)38-24-16-23-22(17-31-24)32-27(25-26(29)34-39-33-25)36(23)20-8-3-2-4-9-20/h2-11,14-17H,12-13H2,1H3,(H2,29,34)(H,30,37)
• InChIKey: DKJPMEPYUNCVMQ-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 138.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
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-(1-methylpyrrol-2-yl)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-(1-methylpyrrol-2-yl)ethyl]benzamide (CID 68872441) is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1-methylpyrrol-2-yl)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-(1-methylpyrrol-2-yl)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-(1-methylpyrrol-2-yl)ethyl]benzamide is Cn1cccc1CCNC(=O)c1cccc(Oc2cc3c(cn2)nc(-c2nonc2N)n3-c2ccccc2)c1.

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-(1-methylpyrrol-2-yl)ethyl]benzamide?

The InChIKey is DKJPMEPYUNCVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O3/c1-35-14-6-10-19(35)12-13-30-28(37)18-7-5-11-21(15-18)38-24-16-23-22(17-31-24)32-27(25-26(29)34-39-33-25)36(23)20-8-3-2-4-9-20/h2-11,14-17H,12-13H2,1H3,(H2,29,34)(H,30,37).

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-(1-methylpyrrol-2-yl)ethyl]benzamide?

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide has a molecular weight of 520.55 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 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-(1-methylpyrrol-2-yl)ethyl]benzamide is sourced from PubChem (CID 68872441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).