4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane

C33H44ClFN8O — CID 164921262

About 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane

4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane (PubChem CID 164921262) has the molecular formula C33H44ClFN8O and a molecular weight of 623.22 g/mol. Its IUPAC name is 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane.

Molecular Properties

• Compound Name: 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane
• PubChem CID: 164921262
• Molecular Formula: C33H44ClFN8O
• Molecular Weight: 623.22 g/mol
• Exact Mass: 622.33
• IUPAC Name: 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane
• SMILES: C=C(CCCC)C(C)(C)C(Oc1cc(C(=N/N)/C(C)=N/C2CCN(C#N)CC2)cn2ncc(Cl)c12)c1ccc(F)cn1.CC
• InChI: InChI=1S/C31H38ClFN8O.C2H6/c1-6-7-8-20(2)31(4,5)30(26-10-9-23(33)16-36-26)42-27-15-22(18-41-29(27)25(32)17-37-41)28(39-35)21(3)38-24-11-13-40(19-34)14-12-24;1-2/h9-10,15-18,24,30H,2,6-8,11-14,35H2,1,3-5H3;1-2H3/b38-21+,39-28+
• InChIKey: KCURJJNLUQTSKW-QJNXDMEESA-N
• XLogP: 7.51
• TPSA: 117.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.22
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane?

The IUPAC name of 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane (CID 164921262) is 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane.

What is the SMILES notation for 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane?

The canonical SMILES for 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane is C=C(CCCC)C(C)(C)C(Oc1cc(C(=N/N)/C(C)=N/C2CCN(C#N)CC2)cn2ncc(Cl)c12)c1ccc(F)cn1.CC.

What is the InChIKey of 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane?

The InChIKey is KCURJJNLUQTSKW-QJNXDMEESA-N. The full InChI is InChI=1S/C31H38ClFN8O.C2H6/c1-6-7-8-20(2)31(4,5)30(26-10-9-23(33)16-36-26)42-27-15-22(18-41-29(27)25(32)17-37-41)28(39-35)21(3)38-24-11-13-40(19-34)14-12-24;1-2/h9-10,15-18,24,30H,2,6-8,11-14,35H2,1,3-5H3;1-2H3/b38-21+,39-28+;.

What are the key properties of 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane?

4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane has a molecular weight of 623.22 g/mol, XLogP of 7.51, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(1Z)-1-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3-methylideneheptoxy]pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile;ethane is sourced from PubChem (CID 164921262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).