6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one

C24H27N7O — CID 44579595

IUPAC6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H27N7O/c32-23-9-8-22(30-15-10-20-6-1-2-7-21(20)30)27-31(23)14-4-3-13-28-16-18-29(19-17-28)24-25-11-5-12-26-24/h1-2,5-12,15H,3-4,13-14,16-19H2
InChIKeyVTMUIAZGURXLKY-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.58
Rot. Bonds7

About 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one

6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one (PubChem CID 44579595) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one.

Molecular Properties

Compound Name6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one
PubChem CID44579595
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H27N7O/c32-23-9-8-22(30-15-10-20-6-1-2-7-21(20)30)27-31(23)14-4-3-13-28-16-18-29(19-17-28)24-25-11-5-12-26-24/h1-2,5-12,15H,3-4,13-14,16-19H2
InChIKeyVTMUIAZGURXLKY-UHFFFAOYSA-N
XLogP2.58
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-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 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one?
The IUPAC name of 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one (CID 44579595) is 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one.
What is the SMILES notation for 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one?
The canonical SMILES for 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one is O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one?
The InChIKey is VTMUIAZGURXLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c32-23-9-8-22(30-15-10-20-6-1-2-7-21(20)30)27-31(23)14-4-3-13-28-16-18-29(19-17-28)24-25-11-5-12-26-24/h1-2,5-12,15H,3-4,13-14,16-19H2.
What are the key properties of 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one?
6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one has a molecular weight of 429.53 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indol-1-yl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazin-3-one is sourced from PubChem (CID 44579595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).