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

IUPAC1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
SMILESO=C(Cc1ccccn1)Cc1ccc(C2CCCCC(c3ccc(CC(=O)Cc4ccccn4)nn3)C2)nn1
InChIInChI=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
InChIKeyLTIAXIGHYNVQKY-UHFFFAOYSA-N
MW520.64 g/mol
LogP4.60
Rot. Bonds10

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 Name1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
PubChem CID159450606
Molecular FormulaC31H32N6O2
Molecular Weight520.64 g/mol
Exact Mass520.26
IUPAC Name1-[6-[3-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one
SMILESO=C(Cc1ccccn1)Cc1ccc(C2CCCCC(c3ccc(CC(=O)Cc4ccccn4)nn3)C2)nn1
InChIInChI=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
InChIKeyLTIAXIGHYNVQKY-UHFFFAOYSA-N
XLogP4.60
TPSA111.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).