6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one

C25H28N4O3 — CID 53081989

IUPAC6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C(C)C)cc4)n3)CC2)c1
InChIInChI=1S/C25H28N4O3/c1-18(2)19-7-9-21(10-8-19)29-24(30)12-11-23(26-29)27-13-15-28(16-14-27)25(31)20-5-4-6-22(17-20)32-3/h4-12,17-18H,13-16H2,1-3H3
InChIKeyXTDQMPAFMIMPSC-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.33
Rot. Bonds5

About 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one

6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one (PubChem CID 53081989) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
PubChem CID53081989
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCOc1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C(C)C)cc4)n3)CC2)c1
InChIInChI=1S/C25H28N4O3/c1-18(2)19-7-9-21(10-8-19)29-24(30)12-11-23(26-29)27-13-15-28(16-14-27)25(31)20-5-4-6-22(17-20)32-3/h4-12,17-18H,13-16H2,1-3H3
InChIKeyXTDQMPAFMIMPSC-UHFFFAOYSA-N
XLogP3.33
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081997
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081698
6-[4-(2-bromobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081681
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832171
2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one
CID 53081791
6-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one
CID 53081404

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one (CID 53081989) is 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one is COc1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C(C)C)cc4)n3)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The InChIKey is XTDQMPAFMIMPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18(2)19-7-9-21(10-8-19)29-24(30)12-11-23(26-29)27-13-15-28(16-14-27)25(31)20-5-4-6-22(17-20)32-3/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one?
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one has a molecular weight of 432.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 53081989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).