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

C25H20F3N7O4 — CID 68872280

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

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-methoxy-3-(trifluoromethyl)benzamide (PubChem CID 68872280) has the molecular formula C25H20F3N7O4 and a molecular weight of 539.47 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-methoxy-3-(trifluoromethyl)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-methoxy-3-(trifluoromethyl)benzamide
• PubChem CID: 68872280
• Molecular Formula: C25H20F3N7O4
• Molecular Weight: 539.47 g/mol
• Exact Mass: 539.15
• IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-methoxy-3-(trifluoromethyl)benzamide
• SMILES: CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OC)c(C(F)(F)F)c4)c3)cc21
• InChI: InChI=1S/C25H20F3N7O4/c1-3-35-18-11-20(30-12-17(18)32-23(35)21-22(29)34-39-33-21)38-15-6-4-5-14(10-15)31-24(36)13-7-8-19(37-2)16(9-13)25(26,27)28/h4-12H,3H2,1-2H3,(H2,29,34)(H,31,36)
• InChIKey: GOXRFMMZHFSTJZ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 143.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.47
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-methoxy-3-(trifluoromethyl)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-methoxy-3-(trifluoromethyl)benzamide (CID 68872280) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-methoxy-3-(trifluoromethyl)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-methoxy-3-(trifluoromethyl)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-methoxy-3-(trifluoromethyl)benzamide is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OC)c(C(F)(F)F)c4)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-methoxy-3-(trifluoromethyl)benzamide?

The InChIKey is GOXRFMMZHFSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O4/c1-3-35-18-11-20(30-12-17(18)32-23(35)21-22(29)34-39-33-21)38-15-6-4-5-14(10-15)31-24(36)13-7-8-19(37-2)16(9-13)25(26,27)28/h4-12H,3H2,1-2H3,(H2,29,34)(H,31,36).

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-methoxy-3-(trifluoromethyl)benzamide?

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-methoxy-3-(trifluoromethyl)benzamide has a molecular weight of 539.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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-methoxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 68872280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).