6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one

C24H26N4O3 — CID 78880374

IUPAC6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H26N4O3/c29-22-13-12-21(25-28(22)18-19-8-3-1-4-9-19)24(31)27-15-7-14-26(16-17-27)23(30)20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
InChIKeyFRKFSTFKPSHJCV-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.54
Rot. Bonds4

About 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one

6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one (PubChem CID 78880374) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one
PubChem CID78880374
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C24H26N4O3/c29-22-13-12-21(25-28(22)18-19-8-3-1-4-9-19)24(31)27-15-7-14-26(16-17-27)23(30)20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2
InChIKeyFRKFSTFKPSHJCV-UHFFFAOYSA-N
XLogP2.54
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55762183
2-benzyl-6-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 51952657
1-[(4-fluorophenyl)methyl]-6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 55777486
2-[(4-fluorophenyl)methyl]-6-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55912944
2-benzyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55982737
1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251298
2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 112834252
6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 51117581
1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
CID 78879861
6-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136536
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(3-chlorophenyl)ethanone
CID 110798191
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one (CID 78880374) is 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one is O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one?
The InChIKey is FRKFSTFKPSHJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22-13-12-21(25-28(22)18-19-8-3-1-4-9-19)24(31)27-15-7-14-26(16-17-27)23(30)20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2.
What are the key properties of 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one?
6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one has a molecular weight of 418.50 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 78880374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).