2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide

C22H22FN5O — CID 7593405

IUPAC2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCN1CCN(c2ccc(-c3ccc(NC(=O)c4ccccc4F)cc3)nn2)CC1
InChIInChI=1S/C22H22FN5O/c1-27-12-14-28(15-13-27)21-11-10-20(25-26-21)16-6-8-17(9-7-16)24-22(29)18-4-2-3-5-19(18)23/h2-11H,12-15H2,1H3,(H,24,29)
InChIKeyVZVWWCDYNXEUPN-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.29
Rot. Bonds4

About 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide

2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide (PubChem CID 7593405) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
PubChem CID7593405
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCN1CCN(c2ccc(-c3ccc(NC(=O)c4ccccc4F)cc3)nn2)CC1
InChIInChI=1S/C22H22FN5O/c1-27-12-14-28(15-13-27)21-11-10-20(25-26-21)16-6-8-17(9-7-16)24-22(29)18-4-2-3-5-19(18)23/h2-11H,12-15H2,1H3,(H,24,29)
InChIKeyVZVWWCDYNXEUPN-UHFFFAOYSA-N
XLogP3.29
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide 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 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide (CID 7593405) is 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide is CN1CCN(c2ccc(-c3ccc(NC(=O)c4ccccc4F)cc3)nn2)CC1.
What is the InChIKey of 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The InChIKey is VZVWWCDYNXEUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-27-12-14-28(15-13-27)21-11-10-20(25-26-21)16-6-8-17(9-7-16)24-22(29)18-4-2-3-5-19(18)23/h2-11H,12-15H2,1H3,(H,24,29).
What are the key properties of 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 7593405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).