tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate

C28H33ClN8O3 — CID 164920819

About tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate

tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate (PubChem CID 164920819) has the molecular formula C28H33ClN8O3 and a molecular weight of 565.08 g/mol. Its IUPAC name is tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate
• PubChem CID: 164920819
• Molecular Formula: C28H33ClN8O3
• Molecular Weight: 565.08 g/mol
• Exact Mass: 564.24
• IUPAC Name: tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate
• SMILES: CC(=N\C1CCN(C(=O)OC(C)(C)C)CC1)/C(=N\N)c1cc(OC(C)c2ccc(Cl)nc2)n2c(C#N)cnc2c1
• InChI: InChI=1S/C28H33ClN8O3/c1-17(34-21-8-10-36(11-9-21)27(38)40-28(3,4)5)26(35-31)20-12-24-33-16-22(14-30)37(24)25(13-20)39-18(2)19-6-7-23(29)32-15-19/h6-7,12-13,15-16,18,21H,8-11,31H2,1-5H3/b34-17+,35-26+
• InChIKey: SWVNQRARZWFYTH-DQBURHBASA-N
• XLogP: 4.92
• TPSA: 143.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.08
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate (CID 164920819) is tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate is CC(=N\C1CCN(C(=O)OC(C)(C)C)CC1)/C(=N\N)c1cc(OC(C)c2ccc(Cl)nc2)n2c(C#N)cnc2c1.

What is the InChIKey of tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate?

The InChIKey is SWVNQRARZWFYTH-DQBURHBASA-N. The full InChI is InChI=1S/C28H33ClN8O3/c1-17(34-21-8-10-36(11-9-21)27(38)40-28(3,4)5)26(35-31)20-12-24-33-16-22(14-30)37(24)25(13-20)39-18(2)19-6-7-23(29)32-15-19/h6-7,12-13,15-16,18,21H,8-11,31H2,1-5H3/b34-17+,35-26+.

What are the key properties of tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate?

tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate has a molecular weight of 565.08 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate is sourced from PubChem (CID 164920819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).