2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile

C23H24N10 — CID 174064441

About 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile

2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile (PubChem CID 174064441) has the molecular formula C23H24N10 and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile
• PubChem CID: 174064441
• Molecular Formula: C23H24N10
• Molecular Weight: 440.52 g/mol
• Exact Mass: 440.22
• IUPAC Name: 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile
• SMILES: C/N=C/C=C(N)c1cn2nccc2c(-c2cnn(C3(CC#N)CC4(CCN(C#N)C4)C3)c2)n1
• InChI: InChI=1S/C23H24N10/c1-27-7-2-18(26)19-12-32-20(3-8-28-32)21(30-19)17-10-29-33(11-17)23(4-6-24)13-22(14-23)5-9-31(15-22)16-25/h2-3,7-8,10-12H,4-5,9,13-15,26H2,1H3/b18-2?,27-7+
• InChIKey: LSFMIEVYDRNKKS-XMGPBLEHSA-N
• XLogP: 2.17
• TPSA: 137.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.52
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile?

The IUPAC name of 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile (CID 174064441) is 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile.

What is the SMILES notation for 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile?

The canonical SMILES for 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile is C/N=C/C=C(N)c1cn2nccc2c(-c2cnn(C3(CC#N)CC4(CCN(C#N)C4)C3)c2)n1.

What is the InChIKey of 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile?

The InChIKey is LSFMIEVYDRNKKS-XMGPBLEHSA-N. The full InChI is InChI=1S/C23H24N10/c1-27-7-2-18(26)19-12-32-20(3-8-28-32)21(30-19)17-10-29-33(11-17)23(4-6-24)13-22(14-23)5-9-31(15-22)16-25/h2-3,7-8,10-12H,4-5,9,13-15,26H2,1H3/b18-2?,27-7+.

What are the key properties of 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile?

2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile has a molecular weight of 440.52 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(1-amino-3-methyliminoprop-1-enyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-2-(cyanomethyl)-6-azaspiro[3.4]octane-6-carbonitrile is sourced from PubChem (CID 174064441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).