6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one

C26H27F3N4O2 — CID 16885771

IUPAC6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1
InChIInChI=1S/C26H27F3N4O2/c1-19-7-9-20(10-8-19)23-11-12-25(35)33(30-23)13-3-6-24(34)32-16-14-31(15-17-32)22-5-2-4-21(18-22)26(27,28)29/h2,4-5,7-12,18H,3,6,13-17H2,1H3
InChIKeyPDBAWMDWQLXPBK-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.37
Rot. Bonds6

About 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one

6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one (PubChem CID 16885771) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
PubChem CID16885771
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1
InChIInChI=1S/C26H27F3N4O2/c1-19-7-9-20(10-8-19)23-11-12-25(35)33(30-23)13-3-6-24(34)32-16-14-31(15-17-32)22-5-2-4-21(18-22)26(27,28)29/h2,4-5,7-12,18H,3,6,13-17H2,1H3
InChIKeyPDBAWMDWQLXPBK-UHFFFAOYSA-N
XLogP4.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one with MolForge

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Related Compounds

2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6-phenylpyridazin-3-one
CID 16884528
2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052702
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884417
2-[4-(4-benzhydrylpiperazin-1-yl)-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
CID 16885757
12-methyl-10-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one
CID 20893601
2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-phenylpyridazin-3-one
CID 16884527
4-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 5222838
2-propyl-6-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one
CID 42162110
3-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 32746601
6-(3,4-dimethoxyphenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutyl]pyridazin-3-one
CID 16885349
6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one
CID 71825200
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 16884961

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one?
The IUPAC name of 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one (CID 16885771) is 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one?
The canonical SMILES for 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one?
The InChIKey is PDBAWMDWQLXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-19-7-9-20(10-8-19)23-11-12-25(35)33(30-23)13-3-6-24(34)32-16-14-31(15-17-32)22-5-2-4-21(18-22)26(27,28)29/h2,4-5,7-12,18H,3,6,13-17H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one?
6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one has a molecular weight of 484.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one is sourced from PubChem (CID 16885771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).