6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one

C26H24Br2N6O2 — CID 13235879

IUPAC6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccc(Br)c2)nn1CN1CCN(Cn2nc(-c3cccc(Br)c3)ccc2=O)CC1
InChIInChI=1S/C26H24Br2N6O2/c27-21-5-1-3-19(15-21)23-7-9-25(35)33(29-23)17-31-11-13-32(14-12-31)18-34-26(36)10-8-24(30-34)20-4-2-6-22(28)16-20/h1-10,15-16H,11-14,17-18H2
InChIKeyUAJLQKSZWYWBES-UHFFFAOYSA-N
MW612.33 g/mol
LogP3.89
Rot. Bonds6

About 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one

6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one (PubChem CID 13235879) has the molecular formula C26H24Br2N6O2 and a molecular weight of 612.33 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
PubChem CID13235879
Molecular FormulaC26H24Br2N6O2
Molecular Weight612.33 g/mol
Exact Mass610.03
IUPAC Name6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccc(Br)c2)nn1CN1CCN(Cn2nc(-c3cccc(Br)c3)ccc2=O)CC1
InChIInChI=1S/C26H24Br2N6O2/c27-21-5-1-3-19(15-21)23-7-9-25(35)33(29-23)17-31-11-13-32(14-12-31)18-34-26(36)10-8-24(30-34)20-4-2-6-22(28)16-20/h1-10,15-16H,11-14,17-18H2
InChIKeyUAJLQKSZWYWBES-UHFFFAOYSA-N
XLogP3.89
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7659757
6-(3-bromophenyl)-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 8698923
ethyl 4-[2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetyl]piperazine-1-carboxylate
CID 41376301
6-(3,4-dichlorophenyl)-2-(piperidin-1-ylmethyl)pyridazin-3-one
CID 13235867
N-benzyl-2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659751
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 7659740
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 27374334
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 41376282
2-[[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-6-phenylpyridazin-3-one
CID 94663619
2-[3-(3-bromophenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16800195
4,6-diphenyl-2-[(4-phenylpiperazin-1-yl)methyl]pyridazin-3-one
CID 14492475
ethyl N-[3-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate
CID 16747373

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one (CID 13235879) is 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one is O=c1ccc(-c2cccc(Br)c2)nn1CN1CCN(Cn2nc(-c3cccc(Br)c3)ccc2=O)CC1.
What is the InChIKey of 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one?
The InChIKey is UAJLQKSZWYWBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Br2N6O2/c27-21-5-1-3-19(15-21)23-7-9-25(35)33(29-23)17-31-11-13-32(14-12-31)18-34-26(36)10-8-24(30-34)20-4-2-6-22(28)16-20/h1-10,15-16H,11-14,17-18H2.
What are the key properties of 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one?
6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one has a molecular weight of 612.33 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-[[4-[[3-(3-bromophenyl)-6-oxopyridazin-1-yl]methyl]piperazin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 13235879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).