4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H30N10O — CID 135200122

About 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 135200122) has the molecular formula C30H30N10O and a molecular weight of 546.64 g/mol. Its IUPAC name is 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 135200122
• Molecular Formula: C30H30N10O
• Molecular Weight: 546.64 g/mol
• Exact Mass: 546.26
• IUPAC Name: 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C=N/C(=C\N=C\C)C1(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CC1
• InChI: InChI=1S/C30H30N10O/c1-4-33-18-26(32-2)30(7-8-30)29(41)39-11-9-38(10-12-39)27-6-5-21(15-34-27)25-13-22(24-17-35-37(3)19-24)20-40-28(25)23(14-31)16-36-40/h4-6,13,15-20H,2,7-12H2,1,3H3/b26-18-,33-4+
• InChIKey: ZAGUELMBTBNUQO-YUAPASFZSA-N
• XLogP: 3.73
• TPSA: 120.07 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.64
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 135200122) is 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is C=N/C(=C\N=C\C)C1(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)CC1.

What is the InChIKey of 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ZAGUELMBTBNUQO-YUAPASFZSA-N. The full InChI is InChI=1S/C30H30N10O/c1-4-33-18-26(32-2)30(7-8-30)29(41)39-11-9-38(10-12-39)27-6-5-21(15-34-27)25-13-22(24-17-35-37(3)19-24)20-40-28(25)23(14-31)16-36-40/h4-6,13,15-20H,2,7-12H2,1,3H3/b26-18-,33-4+.

What are the key properties of 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 546.64 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[1-[(Z)-2-(ethylideneamino)-1-(methylideneamino)ethenyl]cyclopropanecarbonyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 135200122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).