4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one

C27H25N3O3 — CID 41059504

IUPAC4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C27H25N3O3/c1-2-33-21-16-14-19(15-17-21)24-13-8-18-29(24)27(32)25-22-11-6-7-12-23(22)26(31)30(28-25)20-9-4-3-5-10-20/h3-7,9-12,14-17,24H,2,8,13,18H2,1H3/t24-/m1/s1
InChIKeyUOPQLJODLAMWLA-XMMPIXPASA-N
MW439.52 g/mol
LogP4.76
Rot. Bonds5

About 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one

4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one (PubChem CID 41059504) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
PubChem CID41059504
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C27H25N3O3/c1-2-33-21-16-14-19(15-17-21)24-13-8-18-29(24)27(32)25-22-11-6-7-12-23(22)26(31)30(28-25)20-9-4-3-5-10-20/h3-7,9-12,14-17,24H,2,8,13,18H2,1H3/t24-/m1/s1
InChIKeyUOPQLJODLAMWLA-XMMPIXPASA-N
XLogP4.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-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-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one
CID 75459961
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
1-(4-oxo-3-phenylphthalazine-1-carbonyl)pyrrolidine-2-carboxamide
CID 42897417
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
3-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxophthalazine-1-carboxamide
CID 4230036
2-phenyl-4-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]phthalazin-1-one
CID 38722701
4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one
CID 5072242
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(4-ethoxyphenyl)phthalazin-1-one
CID 5072247
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
2-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 3443205
(2R)-1-(4-oxo-3-phenylphthalazine-1-carbonyl)azetidine-2-carboxylic acid
CID 167940096
7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39680391

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one?
The IUPAC name of 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one (CID 41059504) is 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one?
The canonical SMILES for 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one is CCOc1ccc([C@H]2CCCN2C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one?
The InChIKey is UOPQLJODLAMWLA-XMMPIXPASA-N. The full InChI is InChI=1S/C27H25N3O3/c1-2-33-21-16-14-19(15-17-21)24-13-8-18-29(24)27(32)25-22-11-6-7-12-23(22)26(31)30(28-25)20-9-4-3-5-10-20/h3-7,9-12,14-17,24H,2,8,13,18H2,1H3/t24-/m1/s1.
What are the key properties of 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one?
4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one has a molecular weight of 439.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2-phenylphthalazin-1-one is sourced from PubChem (CID 41059504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).