7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile

C24H24ClN7O4 — CID 67889542

About 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile

7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile (PubChem CID 67889542) has the molecular formula C24H24ClN7O4 and a molecular weight of 509.95 g/mol. Its IUPAC name is 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile.

Molecular Properties

• Compound Name: 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
• PubChem CID: 67889542
• Molecular Formula: C24H24ClN7O4
• Molecular Weight: 509.95 g/mol
• Exact Mass: 509.16
• IUPAC Name: 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
• SMILES: N#Cc1c(Cl)ccc2c1n(CCN1CCCC(O)C1)c(=O)c1c(-c3noc(C4CCOC4)n3)ncn12
• InChI: InChI=1S/C24H24ClN7O4/c25-17-3-4-18-20(16(17)10-26)31(8-7-30-6-1-2-15(33)11-30)24(34)21-19(27-13-32(18)21)22-28-23(36-29-22)14-5-9-35-12-14/h3-4,13-15,33H,1-2,5-9,11-12H2
• InChIKey: PHLHFEOWXZNXDG-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 134.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.95
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile?

The IUPAC name of 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile (CID 67889542) is 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile.

What is the SMILES notation for 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile?

The canonical SMILES for 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile is N#Cc1c(Cl)ccc2c1n(CCN1CCCC(O)C1)c(=O)c1c(-c3noc(C4CCOC4)n3)ncn12.

What is the InChIKey of 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile?

The InChIKey is PHLHFEOWXZNXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O4/c25-17-3-4-18-20(16(17)10-26)31(8-7-30-6-1-2-15(33)11-30)24(34)21-19(27-13-32(18)21)22-28-23(36-29-22)14-5-9-35-12-14/h3-4,13-15,33H,1-2,5-9,11-12H2.

What are the key properties of 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile?

7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile has a molecular weight of 509.95 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile is sourced from PubChem (CID 67889542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).