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

C22H22FN5O — CID 7422409

IUPAC3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nn2)CC1
InChIInChI=1S/C22H22FN5O/c1-27-10-12-28(13-11-27)21-9-8-20(25-26-21)16-4-3-7-19(15-16)24-22(29)17-5-2-6-18(23)14-17/h2-9,14-15H,10-13H2,1H3,(H,24,29)
InChIKeyDDKDRQBGVQIXPF-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.29
Rot. Bonds4

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

3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide (PubChem CID 7422409) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
PubChem CID7422409
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
SMILESCN1CCN(c2ccc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nn2)CC1
InChIInChI=1S/C22H22FN5O/c1-27-10-12-28(13-11-27)21-9-8-20(25-26-21)16-4-3-7-19(15-16)24-22(29)17-5-2-6-18(23)14-17/h2-9,14-15H,10-13H2,1H3,(H,24,29)
InChIKeyDDKDRQBGVQIXPF-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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide (CID 7422409) is 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide is CN1CCN(c2ccc(-c3cccc(NC(=O)c4cccc(F)c4)c3)nn2)CC1.
What is the InChIKey of 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
The InChIKey is DDKDRQBGVQIXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-27-10-12-28(13-11-27)21-9-8-20(25-26-21)16-4-3-7-19(15-16)24-22(29)17-5-2-6-18(23)14-17/h2-9,14-15H,10-13H2,1H3,(H,24,29).
What are the key properties of 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide?
3-fluoro-N-[3-[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 3-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide is sourced from PubChem (CID 7422409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).