4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H32N10 — CID 126759894

About 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126759894) has the molecular formula C28H32N10 and a molecular weight of 508.63 g/mol. Its IUPAC name is 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126759894
• Molecular Formula: C28H32N10
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.28
• IUPAC Name: 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=N/C(=C\C=C(/C)c1cc(-c2cnn(C)c2)cn2ncc(C#N)c12)N1CCN(Cc2cn(C)nc2C)CC1
• InChI: InChI=1S/C28H32N10/c1-20(26-12-22(24-15-31-34(4)16-24)19-38-28(26)23(13-29)14-32-38)6-7-27(30-3)37-10-8-36(9-11-37)18-25-17-35(5)33-21(25)2/h6-7,12,14-17,19H,3,8-11,18H2,1-2,4-5H3/b20-6+,27-7+
• InChIKey: GUDKIDAXVGJAQM-UYJRYHRXSA-N
• XLogP: 3.41
• TPSA: 95.57 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126759894) is 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C=N/C(=C\C=C(/C)c1cc(-c2cnn(C)c2)cn2ncc(C#N)c12)N1CCN(Cc2cn(C)nc2C)CC1.

What is the InChIKey of 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GUDKIDAXVGJAQM-UYJRYHRXSA-N. The full InChI is InChI=1S/C28H32N10/c1-20(26-12-22(24-15-31-34(4)16-24)19-38-28(26)23(13-29)14-32-38)6-7-27(30-3)37-10-8-36(9-11-37)18-25-17-35(5)33-21(25)2/h6-7,12,14-17,19H,3,8-11,18H2,1-2,4-5H3/b20-6+,27-7+.

What are the key properties of 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 508.63 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2E,4Z)-5-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-5-(methylideneamino)penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126759894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).