1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one

C₃₁H₃₂N₆O₂ — CID 159450606

About 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one

1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one (PubChem CID 159450606) has the molecular formula C₃₁H₃₂N₆O₂ and a molecular weight of 520.64 g/mol. Its IUPAC name is 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one.

Molecular Properties

• Compound Name: 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
• PubChem CID: 159450606
• Molecular Formula: C₃₁H₃₂N₆O₂
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.26
• IUPAC Name: 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
• SMILES: O=C(Cc1ccccn1)Cc1ccc(C2CCCCC(c3ccc(CC(=O)Cc4ccccn4)nn3)C2)nn1
• InChI: InChI=1S/C31H32N6O2/c38-28(18-24-9-3-5-15-32-24)20-26-11-13-30(36-34-26)22-7-1-2-8-23(17-22)31-14-12-27(35-37-31)21-29(39)19-25-10-4-6-16-33-25/h3-6,9-16,22-23H,1-2,7-8,17-21H2
• InChIKey: LTIAXIGHYNVQKY-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 111.48 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?

The IUPAC name of 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one (CID 159450606) is 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one.

What is the SMILES notation for 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?

The canonical SMILES for 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one is O=C(Cc1ccccn1)Cc1ccc(C2CCCCC(c3ccc(CC(=O)Cc4ccccn4)nn3)C2)nn1.

What is the InChIKey of 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?

The InChIKey is LTIAXIGHYNVQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O2/c38-28(18-24-9-3-5-15-32-24)20-26-11-13-30(36-34-26)22-7-1-2-8-23(17-22)31-14-12-27(35-37-31)21-29(39)19-25-10-4-6-16-33-25/h3-6,9-16,22-23H,1-2,7-8,17-21H2.

What are the key properties of 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one?

1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one has a molecular weight of 520.64 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one is sourced from PubChem (CID 159450606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159450606 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.