4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile

C39H45N11O2 — CID 158236211

About 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile

4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 158236211) has the molecular formula C39H45N11O2 and a molecular weight of 699.86 g/mol. Its IUPAC name is 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
• PubChem CID: 158236211
• Molecular Formula: C39H45N11O2
• Molecular Weight: 699.86 g/mol
• Exact Mass: 699.38
• IUPAC Name: 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
• SMILES: CC(C)c1ccc(CC(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1
• InChI: InChI=1S/C20H23N5O.C19H22N6O/c1-15(2)17-5-3-16(4-6-17)11-20(26)25-9-7-24(8-10-25)19-14-22-18(12-21)13-23-19;1-14(2)15-3-5-16(6-4-15)23-19(26)25-9-7-24(8-10-25)18-13-21-17(11-20)12-22-18/h3-6,13-15H,7-11H2,1-2H3;3-6,12-14H,7-10H2,1-2H3,(H,23,26)
• InChIKey: GEZKPXRQLABKGB-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 158.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.86
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile?

The IUPAC name of 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 158236211) is 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile.

What is the SMILES notation for 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile?

The canonical SMILES for 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile is CC(C)c1ccc(CC(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1.CC(C)c1ccc(NC(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1.

What is the InChIKey of 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile?

The InChIKey is GEZKPXRQLABKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.C19H22N6O/c1-15(2)17-5-3-16(4-6-17)11-20(26)25-9-7-24(8-10-25)19-14-22-18(12-21)13-23-19;1-14(2)15-3-5-16(6-4-15)23-19(26)25-9-7-24(8-10-25)18-13-21-17(11-20)12-22-18/h3-6,13-15H,7-11H2,1-2H3;3-6,12-14H,7-10H2,1-2H3,(H,23,26).

What are the key properties of 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile?

4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 699.86 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 158236211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).