6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one

C25H29N5O2 — CID 53081733

IUPAC6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2nc(N3CCN(C(=O)c4cccc(N(C)C)c4)CC3)ccc2=O)cc1C
InChIInChI=1S/C25H29N5O2/c1-18-8-9-22(16-19(18)2)30-24(31)11-10-23(26-30)28-12-14-29(15-13-28)25(32)20-6-5-7-21(17-20)27(3)4/h5-11,16-17H,12-15H2,1-4H3
InChIKeyNUVALCQCXCJWJW-UHFFFAOYSA-N
MW431.54 g/mol
LogP2.88
Rot. Bonds4

About 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one

6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one (PubChem CID 53081733) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
PubChem CID53081733
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
SMILESCc1ccc(-n2nc(N3CCN(C(=O)c4cccc(N(C)C)c4)CC3)ccc2=O)cc1C
InChIInChI=1S/C25H29N5O2/c1-18-8-9-22(16-19(18)2)30-24(31)11-10-23(26-30)28-12-14-29(15-13-28)25(32)20-6-5-7-21(17-20)27(3)4/h5-11,16-17H,12-15H2,1-4H3
InChIKeyNUVALCQCXCJWJW-UHFFFAOYSA-N
XLogP2.88
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081698
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
2-(3,4-dimethylphenyl)-6-[4-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081370
6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081763
2-(3,4-dimethylphenyl)-6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081364
6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
2-(3,4-dimethylphenyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081750
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
2-(3,4-dimethylphenyl)-6-[4-(1H-indole-2-carbonyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53007260
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one (CID 53081733) is 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one is Cc1ccc(-n2nc(N3CCN(C(=O)c4cccc(N(C)C)c4)CC3)ccc2=O)cc1C.
What is the InChIKey of 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The InChIKey is NUVALCQCXCJWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-8-9-22(16-19(18)2)30-24(31)11-10-23(26-30)28-12-14-29(15-13-28)25(32)20-6-5-7-21(17-20)27(3)4/h5-11,16-17H,12-15H2,1-4H3.
What are the key properties of 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one has a molecular weight of 431.54 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 53081733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).