2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one

C24H27N3O — CID 44539870

IUPAC2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O/c1-19-6-5-16-26(19)17-15-20-9-11-22(12-10-20)23-13-14-24(28)27(25-23)18-21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18H2,1H3/t19-/m1/s1
InChIKeyKCXHNBVFVBHGSG-LJQANCHMSA-N
MW373.50 g/mol
LogP3.99
Rot. Bonds6

About 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one

2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one (PubChem CID 44539870) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
PubChem CID44539870
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O/c1-19-6-5-16-26(19)17-15-20-9-11-22(12-10-20)23-13-14-24(28)27(25-23)18-21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18H2,1H3/t19-/m1/s1
InChIKeyKCXHNBVFVBHGSG-LJQANCHMSA-N
XLogP3.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-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

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
(2-Fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952491
1-(3-phenyl-5-o-tolyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11529216
1-((S)-3-(2,5-difluorophenyl)-5-(3-((S)-3-fluoropyrrolidin-1-yl)propyl)-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
CID 44435375
4-[(4-fluorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937630
4-[(4-methylphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937631
4-[(3-fluorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937728

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one (CID 44539870) is 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one is C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
The InChIKey is KCXHNBVFVBHGSG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O/c1-19-6-5-16-26(19)17-15-20-9-11-22(12-10-20)23-13-14-24(28)27(25-23)18-21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18H2,1H3/t19-/m1/s1.
What are the key properties of 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one?
2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one has a molecular weight of 373.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 44539870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).