6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C22H17ClN6O2 — CID 67886927

About 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67886927) has the molecular formula C22H17ClN6O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

• Compound Name: 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
• PubChem CID: 67886927
• Molecular Formula: C22H17ClN6O2
• Molecular Weight: 432.87 g/mol
• Exact Mass: 432.11
• IUPAC Name: 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
• SMILES: CC1CC1c1nc(-c2ncn3c2c(=O)n(Cc2ccccn2)c2c(Cl)cccc23)no1
• InChI: InChI=1S/C22H17ClN6O2/c1-12-9-14(12)21-26-20(27-31-21)17-19-22(30)28(10-13-5-2-3-8-24-13)18-15(23)6-4-7-16(18)29(19)11-25-17/h2-8,11-12,14H,9-10H2,1H3
• InChIKey: LHYNSHWGVQMJJR-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 91.11 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.87
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?

The IUPAC name of 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67886927) is 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

What is the SMILES notation for 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?

The canonical SMILES for 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is CC1CC1c1nc(-c2ncn3c2c(=O)n(Cc2ccccn2)c2c(Cl)cccc23)no1.

What is the InChIKey of 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?

The InChIKey is LHYNSHWGVQMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2/c1-12-9-14(12)21-26-20(27-31-21)17-19-22(30)28(10-13-5-2-3-8-24-13)18-15(23)6-4-7-16(18)29(19)11-25-17/h2-8,11-12,14H,9-10H2,1H3.

What are the key properties of 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?

6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 432.87 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67886927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).