6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one

C25H27BrN4O2 — CID 71825200

IUPAC6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one
SMILESCc1ccc(C)c(N2CCN(C(=O)CCn3nc(-c4ccc(Br)cc4)ccc3=O)CC2)c1
InChIInChI=1S/C25H27BrN4O2/c1-18-3-4-19(2)23(17-18)28-13-15-29(16-14-28)24(31)11-12-30-25(32)10-9-22(27-30)20-5-7-21(26)8-6-20/h3-10,17H,11-16H2,1-2H3
InChIKeyGHQGCORKDFMRIU-UHFFFAOYSA-N
MW495.42 g/mol
LogP4.03
Rot. Bonds5

About 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one

6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one (PubChem CID 71825200) has the molecular formula C25H27BrN4O2 and a molecular weight of 495.42 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one
PubChem CID71825200
Molecular FormulaC25H27BrN4O2
Molecular Weight495.42 g/mol
Exact Mass494.13
IUPAC Name6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one
SMILESCc1ccc(C)c(N2CCN(C(=O)CCn3nc(-c4ccc(Br)cc4)ccc3=O)CC2)c1
InChIInChI=1S/C25H27BrN4O2/c1-18-3-4-19(2)23(17-18)28-13-15-29(16-14-28)24(31)11-12-30-25(32)10-9-22(27-30)20-5-7-21(26)8-6-20/h3-10,17H,11-16H2,1-2H3
InChIKeyGHQGCORKDFMRIU-UHFFFAOYSA-N
XLogP4.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293
6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 16884851
6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
CID 16885771
ethyl 4-[3-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]propanoyl]piperazine-1-carboxylate
CID 3236650
6-(4-chlorophenyl)-2-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]pyridazin-3-one
CID 5046314
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
N-(3,4-dimethylphenyl)-1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-6-oxopyridazine-3-carboxamide
CID 53066161
2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 16885757
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
6-(4-chlorophenyl)-2-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]pyridazin-3-one
CID 5046313
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one (CID 71825200) is 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one is Cc1ccc(C)c(N2CCN(C(=O)CCn3nc(-c4ccc(Br)cc4)ccc3=O)CC2)c1.
What is the InChIKey of 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one?
The InChIKey is GHQGCORKDFMRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN4O2/c1-18-3-4-19(2)23(17-18)28-13-15-29(16-14-28)24(31)11-12-30-25(32)10-9-22(27-30)20-5-7-21(26)8-6-20/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one?
6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one has a molecular weight of 495.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one is sourced from PubChem (CID 71825200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).