6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione

C19H17ClN4O3 — CID 113201858

IUPAC6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(CN1C(=O)c2cccnc2C1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17ClN4O3/c20-13-3-1-4-14(11-13)22-7-9-23(10-8-22)16(25)12-24-18(26)15-5-2-6-21-17(15)19(24)27/h1-6,11H,7-10,12H2
InChIKeyUMLMVTKUYTXHSJ-UHFFFAOYSA-N
MW384.82 g/mol
LogP1.68
Rot. Bonds3

About 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113201858) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113201858
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(CN1C(=O)c2cccnc2C1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17ClN4O3/c20-13-3-1-4-14(11-13)22-7-9-23(10-8-22)16(25)12-24-18(26)15-5-2-6-21-17(15)19(24)27/h1-6,11H,7-10,12H2
InChIKeyUMLMVTKUYTXHSJ-UHFFFAOYSA-N
XLogP1.68
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione 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

6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113201855
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 2197758
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4,8-trione
CID 75392176
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 16603267
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538299
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 43001987
N-[2-(3-chlorophenyl)ethyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202565
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
CID 108875035
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 113201858) is 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C(CN1C(=O)c2cccnc2C1=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is UMLMVTKUYTXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-13-3-1-4-14(11-13)22-7-9-23(10-8-22)16(25)12-24-18(26)15-5-2-6-21-17(15)19(24)27/h1-6,11H,7-10,12H2.
What are the key properties of 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 384.82 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113201858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).