2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide

C28H25F3N8O4 — CID 69278172

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 69278172) has the molecular formula C28H25F3N8O4 and a molecular weight of 594.55 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 69278172
• Molecular Formula: C28H25F3N8O4
• Molecular Weight: 594.55 g/mol
• Exact Mass: 594.20
• IUPAC Name: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: Nc1nonc1-c1nc2cnc(Oc3ccccc3C(=O)NCCN3CCOCC3)cc2n1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C28H25F3N8O4/c29-28(30,31)17-5-7-18(8-6-17)39-21-15-23(34-16-20(21)35-26(39)24-25(32)37-43-36-24)42-22-4-2-1-3-19(22)27(40)33-9-10-38-11-13-41-14-12-38/h1-8,15-16H,9-14H2,(H2,32,37)(H,33,40)
• InChIKey: CTJOBHHIIZXNNC-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 146.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.55
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide (CID 69278172) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide.

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

The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide is Nc1nonc1-c1nc2cnc(Oc3ccccc3C(=O)NCCN3CCOCC3)cc2n1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is CTJOBHHIIZXNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N8O4/c29-28(30,31)17-5-7-18(8-6-17)39-21-15-23(34-16-20(21)35-26(39)24-25(32)37-43-36-24)42-22-4-2-1-3-19(22)27(40)33-9-10-38-11-13-41-14-12-38/h1-8,15-16H,9-14H2,(H2,32,37)(H,33,40).

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

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 594.55 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 69278172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).