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

C28H33N9O — CID 135178512

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

4-[(2E,4Z)-5-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 135178512) has the molecular formula C28H33N9O and a molecular weight of 511.63 g/mol. Its IUPAC name is 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]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-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 135178512
• Molecular Formula: C28H33N9O
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.28
• IUPAC Name: 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]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(CC(=O)N2CCCC2)CC1
• InChI: InChI=1S/C28H33N9O/c1-21(25-14-22(24-17-31-33(3)18-24)19-37-28(25)23(15-29)16-32-37)6-7-26(30-2)35-12-10-34(11-13-35)20-27(38)36-8-4-5-9-36/h6-7,14,16-19H,2,4-5,8-13,20H2,1,3H3/b21-6+,26-7+
• InChIKey: FGDIBEWDXGWCSH-WWKCJJEWSA-N
• XLogP: 2.79
• TPSA: 98.06 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]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-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 135178512) is 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]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-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]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-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]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(CC(=O)N2CCCC2)CC1.

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

The InChIKey is FGDIBEWDXGWCSH-WWKCJJEWSA-N. The full InChI is InChI=1S/C28H33N9O/c1-21(25-14-22(24-17-31-33(3)18-24)19-37-28(25)23(15-29)16-32-37)6-7-26(30-2)35-12-10-34(11-13-35)20-27(38)36-8-4-5-9-36/h6-7,14,16-19H,2,4-5,8-13,20H2,1,3H3/b21-6+,26-7+.

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

4-[(2E,4Z)-5-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 511.63 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 135178512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).