7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile

C24H26FN7O4 — CID 67889658

About 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile

7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile (PubChem CID 67889658) has the molecular formula C24H26FN7O4 and a molecular weight of 495.52 g/mol. Its IUPAC name is 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile.

Molecular Properties

• Compound Name: 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
• PubChem CID: 67889658
• Molecular Formula: C24H26FN7O4
• Molecular Weight: 495.52 g/mol
• Exact Mass: 495.20
• IUPAC Name: 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
• SMILES: COC(C)(C)c1nc(-c2ncn3c2c(=O)n(CCN2CCC(O)CC2)c2c(C#N)c(F)ccc23)no1
• InChI: InChI=1S/C24H26FN7O4/c1-24(2,35-3)23-28-21(29-36-23)18-20-22(34)31(11-10-30-8-6-14(33)7-9-30)19-15(12-26)16(25)4-5-17(19)32(20)13-27-18/h4-5,13-14,33H,6-11H2,1-3H3
• InChIKey: RHFZRSPIEDPGCB-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 134.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.52
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?

The IUPAC name of 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile (CID 67889658) is 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile.

What is the SMILES notation for 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?

The canonical SMILES for 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile is COC(C)(C)c1nc(-c2ncn3c2c(=O)n(CCN2CCC(O)CC2)c2c(C#N)c(F)ccc23)no1.

What is the InChIKey of 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?

The InChIKey is RHFZRSPIEDPGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O4/c1-24(2,35-3)23-28-21(29-36-23)18-20-22(34)31(11-10-30-8-6-14(33)7-9-30)19-15(12-26)16(25)4-5-17(19)32(20)13-27-18/h4-5,13-14,33H,6-11H2,1-3H3.

What are the key properties of 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?

7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile has a molecular weight of 495.52 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile is sourced from PubChem (CID 67889658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).