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

C27H28N8O3 — CID 68871403

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

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide (PubChem CID 68871403) has the molecular formula C27H28N8O3 and a molecular weight of 512.57 g/mol. Its IUPAC name is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
• PubChem CID: 68871403
• Molecular Formula: C27H28N8O3
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.23
• IUPAC Name: 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
• SMILES: CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)Nc4ccc(CCN(C)C)cc4)c3)cc21
• InChI: InChI=1S/C27H28N8O3/c1-4-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-38-32-24)37-20-7-5-6-18(14-20)27(36)30-19-10-8-17(9-11-19)12-13-34(2)3/h5-11,14-16H,4,12-13H2,1-3H3,(H2,28,33)(H,30,36)
• InChIKey: QAUDLSOLYPGLHF-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 137.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	4.23
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-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide?

The IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide (CID 68871403) is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide.

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

The canonical SMILES for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(C(=O)Nc4ccc(CCN(C)C)cc4)c3)cc21.

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

The InChIKey is QAUDLSOLYPGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O3/c1-4-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-38-32-24)37-20-7-5-6-18(14-20)27(36)30-19-10-8-17(9-11-19)12-13-34(2)3/h5-11,14-16H,4,12-13H2,1-3H3,(H2,28,33)(H,30,36).

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

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide has a molecular weight of 512.57 g/mol, XLogP of 4.23, 9 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-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 68871403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).