phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone

C25H20N4O — CID 66908606

IUPACphenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone
SMILESO=C(c1ccccc1)N1C[C@@H]2C1CN2c1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H20N4O/c30-25(18-11-5-2-6-12-18)29-16-21-22(29)15-28(21)24-20-14-8-7-13-19(20)23(26-27-24)17-9-3-1-4-10-17/h1-14,21-22H,15-16H2/t21-,22?/m1/s1
InChIKeyARKPAKSEYTWDLC-ZMFCMNQTSA-N
MW392.46 g/mol
LogP4.01
Rot. Bonds3

About phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone

phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone (PubChem CID 66908606) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone
PubChem CID66908606
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Namephenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone
SMILESO=C(c1ccccc1)N1C[C@@H]2C1CN2c1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C25H20N4O/c30-25(18-11-5-2-6-12-18)29-16-21-22(29)15-28(21)24-20-14-8-7-13-19(20)23(26-27-24)17-9-3-1-4-10-17/h1-14,21-22H,15-16H2/t21-,22?/m1/s1
InChIKeyARKPAKSEYTWDLC-ZMFCMNQTSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone 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

(R)-(3-methyl-4-(4-(4-(trifluoromethyl)phenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 25255940
(R)-(4-(4-(4-chlorophenyl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
CID 46891199
(R)-(3-methyl-4-(4-p-tolylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891200
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 2953198
1-[4-[4-(4-Methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone
CID 2952514
Phenyl(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)methanone
CID 6407374
4-fluoro-N-[1-[4-(4-methylphenyl)phthalazin-1-yl]pyrrolidin-3-yl]-2-(trifluoromethyl)benzamide
CID 145962113
1-[4-(4-Phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
CID 2952822
Cyclohexyl-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
CID 2953176
1-(4-Butyrylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine
CID 6413099
Mlkl-IN-2
CID 7593182
(S)-(2-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46871826

Frequently Asked Questions

What is the IUPAC name of phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone?
The IUPAC name of phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone (CID 66908606) is phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone.
What is the SMILES notation for phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone?
The canonical SMILES for phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone is O=C(c1ccccc1)N1C[C@@H]2C1CN2c1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone?
The InChIKey is ARKPAKSEYTWDLC-ZMFCMNQTSA-N. The full InChI is InChI=1S/C25H20N4O/c30-25(18-11-5-2-6-12-18)29-16-21-22(29)15-28(21)24-20-14-8-7-13-19(20)23(26-27-24)17-9-3-1-4-10-17/h1-14,21-22H,15-16H2/t21-,22?/m1/s1.
What are the key properties of phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone?
phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(4R)-5-(4-phenylphthalazin-1-yl)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methanone is sourced from PubChem (CID 66908606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).