N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C30H32N8O4 — CID 44529206

About N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 44529206) has the molecular formula C30H32N8O4 and a molecular weight of 568.64 g/mol. Its IUPAC name is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

• Compound Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide
• PubChem CID: 44529206
• Molecular Formula: C30H32N8O4
• Molecular Weight: 568.64 g/mol
• Exact Mass: 568.25
• IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide
• SMILES: CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCCCC5)cc4)c3)cc21
• InChI: InChI=1S/C30H32N8O4/c1-2-38-25-18-26(32-19-24(25)34-29(38)27-28(31)36-42-35-27)41-23-8-6-7-21(17-23)33-30(39)20-9-11-22(12-10-20)40-16-15-37-13-4-3-5-14-37/h6-12,17-19H,2-5,13-16H2,1H3,(H2,31,36)(H,33,39)
• InChIKey: GITCPPHGBGUPEO-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 146.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.64
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide?

The IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 44529206) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

What is the SMILES notation for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide?

The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCCCC5)cc4)c3)cc21.

What is the InChIKey of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide?

The InChIKey is GITCPPHGBGUPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O4/c1-2-38-25-18-26(32-19-24(25)34-29(38)27-28(31)36-42-35-27)41-23-8-6-7-21(17-23)33-30(39)20-9-11-22(12-10-20)40-16-15-37-13-4-3-5-14-37/h6-12,17-19H,2-5,13-16H2,1H3,(H2,31,36)(H,33,39).

What are the key properties of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide?

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 568.64 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 44529206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).