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

C27H31N9O2 — CID 135177550

About 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 135177550) has the molecular formula C27H31N9O2 and a molecular weight of 513.61 g/mol. Its IUPAC name is 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 135177550
• Molecular Formula: C27H31N9O2
• Molecular Weight: 513.61 g/mol
• Exact Mass: 513.26
• IUPAC Name: 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(morpholine-4-carbonyl)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(C(=O)N2CCOCC2)CC1
• InChI: InChI=1S/C27H31N9O2/c1-20(24-14-21(23-17-30-32(3)18-23)19-36-26(24)22(15-28)16-31-36)4-5-25(29-2)33-6-8-34(9-7-33)27(37)35-10-12-38-13-11-35/h4-5,14,16-19H,2,6-13H2,1,3H3/b20-4+,25-5+
• InChIKey: HGKVQGPKLNXLGA-SLNVGDCDSA-N
• XLogP: 2.62
• TPSA: 107.29 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.61
LogP ≤ 5	2.62
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-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 135177550) is 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)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(C(=O)N2CCOCC2)CC1.

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

The InChIKey is HGKVQGPKLNXLGA-SLNVGDCDSA-N. The full InChI is InChI=1S/C27H31N9O2/c1-20(24-14-21(23-17-30-32(3)18-23)19-36-26(24)22(15-28)16-31-36)4-5-25(29-2)33-6-8-34(9-7-33)27(37)35-10-12-38-13-11-35/h4-5,14,16-19H,2,6-13H2,1,3H3/b20-4+,25-5+.

What are the key properties of 4-[(2E,4Z)-5-(methylideneamino)-5-[4-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)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 513.61 g/mol, XLogP of 2.62, 5 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-(morpholine-4-carbonyl)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 135177550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).