3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile

C24H18FN7O2 — CID 67888172

About 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile (PubChem CID 67888172) has the molecular formula C24H18FN7O2 and a molecular weight of 455.45 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile.

Molecular Properties

• Compound Name: 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
• PubChem CID: 67888172
• Molecular Formula: C24H18FN7O2
• Molecular Weight: 455.45 g/mol
• Exact Mass: 455.15
• IUPAC Name: 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
• SMILES: N#Cc1c(F)ccc2c1n(Cc1ccccn1)c(=O)c1c(-c3nc(C4CCCC4)no3)ncn12
• InChI: InChI=1S/C24H18FN7O2/c25-17-8-9-18-20(16(17)11-26)31(12-15-7-3-4-10-27-15)24(33)21-19(28-13-32(18)21)23-29-22(30-34-23)14-5-1-2-6-14/h3-4,7-10,13-14H,1-2,5-6,12H2
• InChIKey: IPHJTTABTOIQHG-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 114.90 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.45
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile?

The IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile (CID 67888172) is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile.

What is the SMILES notation for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile?

The canonical SMILES for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile is N#Cc1c(F)ccc2c1n(Cc1ccccn1)c(=O)c1c(-c3nc(C4CCCC4)no3)ncn12.

What is the InChIKey of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile?

The InChIKey is IPHJTTABTOIQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN7O2/c25-17-8-9-18-20(16(17)11-26)31(12-15-7-3-4-10-27-15)24(33)21-19(28-13-32(18)21)23-29-22(30-34-23)14-5-1-2-6-14/h3-4,7-10,13-14H,1-2,5-6,12H2.

What are the key properties of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile?

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile has a molecular weight of 455.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile is sourced from PubChem (CID 67888172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).