5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C26H28N8O2 — CID 55626765

About 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 55626765) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• PubChem CID: 55626765
• Molecular Formula: C26H28N8O2
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.23
• IUPAC Name: 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
• SMILES: Cc1ccc(-c2noc(CN3CCN(C(=O)CCc4c(C)nc5c(C#N)cnn5c4C)CC3)n2)cc1
• InChI: InChI=1S/C26H28N8O2/c1-17-4-6-20(7-5-17)25-30-23(36-31-25)16-32-10-12-33(13-11-32)24(35)9-8-22-18(2)29-26-21(14-27)15-28-34(26)19(22)3/h4-7,15H,8-13,16H2,1-3H3
• InChIKey: TWEZPQVUHCXGEU-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 116.45 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The IUPAC name of 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 55626765) is 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

What is the SMILES notation for 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The canonical SMILES for 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1ccc(-c2noc(CN3CCN(C(=O)CCc4c(C)nc5c(C#N)cnn5c4C)CC3)n2)cc1.

What is the InChIKey of 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

The InChIKey is TWEZPQVUHCXGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-17-4-6-20(7-5-17)25-30-23(36-31-25)16-32-10-12-33(13-11-32)24(35)9-8-22-18(2)29-26-21(14-27)15-28-34(26)19(22)3/h4-7,15H,8-13,16H2,1-3H3.

What are the key properties of 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?

5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 484.56 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-6-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 55626765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).