5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C26H30N8O2 — CID 118294766

About 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 118294766) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 118294766
• Molecular Formula: C26H30N8O2
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.25
• IUPAC Name: 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: COc1cc(CNC(C=O)(C2CCNCC2)C2CC2)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
• InChI: InChI=1S/C26H30N8O2/c1-36-23-10-17(13-31-26(16-35,18-3-4-18)19-6-8-28-9-7-19)2-5-21(23)22-11-24(34-33-22)32-25-15-29-20(12-27)14-30-25/h2,5,10-11,14-16,18-19,28,31H,3-4,6-9,13H2,1H3,(H2,30,32,33,34)
• InChIKey: IWACBBXMXVVEIM-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 140.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 118294766) is 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(CNC(C=O)(C2CCNCC2)C2CC2)ccc1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.

What is the InChIKey of 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is IWACBBXMXVVEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-36-23-10-17(13-31-26(16-35,18-3-4-18)19-6-8-28-9-7-19)2-5-21(23)22-11-24(34-33-22)32-25-15-29-20(12-27)14-30-25/h2,5,10-11,14-16,18-19,28,31H,3-4,6-9,13H2,1H3,(H2,30,32,33,34).

What are the key properties of 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 486.58 g/mol, XLogP of 2.93, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 118294766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).