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

C23H19N7O3 — CID 11339681

IUPACN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]benzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccccc4)c3)cc21
InChIInChI=1S/C23H19N7O3/c1-2-30-18-12-19(25-13-17(18)27-22(30)20-21(24)29-33-28-20)32-16-10-6-9-15(11-16)26-23(31)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H2,24,29)(H,26,31)
InChIKeyFQFROAXLLJKTJG-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.13
Rot. Bonds6

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

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]benzamide (PubChem CID 11339681) has the molecular formula C23H19N7O3 and a molecular weight of 441.45 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]benzamide.

Molecular Properties

Compound NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]benzamide
PubChem CID11339681
Molecular FormulaC23H19N7O3
Molecular Weight441.45 g/mol
Exact Mass441.15
IUPAC NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]benzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccccc4)c3)cc21
InChIInChI=1S/C23H19N7O3/c1-2-30-18-12-19(25-13-17(18)27-22(30)20-21(24)29-33-28-20)32-16-10-6-9-15(11-16)26-23(31)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H2,24,29)(H,26,31)
InChIKeyFQFROAXLLJKTJG-UHFFFAOYSA-N
XLogP4.13
TPSA133.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]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]benzamide (CID 11339681) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]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]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]benzamide is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccccc4)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]benzamide?
The InChIKey is FQFROAXLLJKTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O3/c1-2-30-18-12-19(25-13-17(18)27-22(30)20-21(24)29-33-28-20)32-16-10-6-9-15(11-16)26-23(31)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H2,24,29)(H,26,31).
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]benzamide?
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]benzamide has a molecular weight of 441.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 9 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]benzamide is sourced from PubChem (CID 11339681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).