2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one

C27H24N4O2 — CID 20875875

IUPAC2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
SMILESO=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C27H24N4O2/c32-26(30-16-12-22(13-17-30)21-6-2-1-3-7-21)19-31-27(33)24-9-5-4-8-23(24)25(29-31)18-20-10-14-28-15-11-20/h1-12,14-15H,13,16-19H2
InChIKeySZHSYLRWOZITLT-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.70
Rot. Bonds5

About 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one

2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one (PubChem CID 20875875) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
PubChem CID20875875
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
SMILESO=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C27H24N4O2/c32-26(30-16-12-22(13-17-30)21-6-2-1-3-7-21)19-31-27(33)24-9-5-4-8-23(24)25(29-31)18-20-10-14-28-15-11-20/h1-12,14-15H,13,16-19H2
InChIKeySZHSYLRWOZITLT-UHFFFAOYSA-N
XLogP3.70
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-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-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
CID 5308755
2-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
CID 171381922
4-benzyl-2-[2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-oxoethyl]phthalazin-1-one
CID 146044386
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
CID 6622629
2-(4-benzyl-1-oxophthalazin-2-yl)acetamide
CID 39890759
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875787
2-[4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)phthalazin-1-yl]acetic acid
CID 102534128
2-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 20875926
N-(4-fluorophenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875884
N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875830
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 122175769
3,7-dimethyl-1-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]purine-2,6-dione
CID 38295649

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one?
The IUPAC name of 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one (CID 20875875) is 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one.
What is the SMILES notation for 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one?
The canonical SMILES for 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one is O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one?
The InChIKey is SZHSYLRWOZITLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26(30-16-12-22(13-17-30)21-6-2-1-3-7-21)19-31-27(33)24-9-5-4-8-23(24)25(29-31)18-20-10-14-28-15-11-20/h1-12,14-15H,13,16-19H2.
What are the key properties of 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one?
2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one has a molecular weight of 436.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one is sourced from PubChem (CID 20875875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).