6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C21H23N9 — CID 174108958

About 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 174108958) has the molecular formula C21H23N9 and a molecular weight of 401.48 g/mol. Its IUPAC name is 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 174108958
• Molecular Formula: C21H23N9
• Molecular Weight: 401.48 g/mol
• Exact Mass: 401.21
• IUPAC Name: 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: C/N=C/C(=CN)c1cn2ncc(C#N)c2c(-c2ccc(N3CCN(C)CC3)nc2)n1
• InChI: InChI=1S/C21H23N9/c1-24-11-16(9-22)18-14-30-21(17(10-23)13-26-30)20(27-18)15-3-4-19(25-12-15)29-7-5-28(2)6-8-29/h3-4,9,11-14H,5-8,22H2,1-2H3/b16-9?,24-11+
• InChIKey: UPYCKXRSLFXTSG-HHYWCIAOSA-N
• XLogP: 1.41
• TPSA: 111.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.48
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 174108958) is 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is C/N=C/C(=CN)c1cn2ncc(C#N)c2c(-c2ccc(N3CCN(C)CC3)nc2)n1.

What is the InChIKey of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is UPYCKXRSLFXTSG-HHYWCIAOSA-N. The full InChI is InChI=1S/C21H23N9/c1-24-11-16(9-22)18-14-30-21(17(10-23)13-26-30)20(27-18)15-3-4-19(25-12-15)29-7-5-28(2)6-8-29/h3-4,9,11-14H,5-8,22H2,1-2H3/b16-9?,24-11+.

What are the key properties of 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 401.48 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-amino-3-methyliminoprop-1-en-2-yl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 174108958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).