6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one

C20H18ClN3O2 — CID 122553445

IUPAC6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1cc(N2C(=O)c3ccn(C)c3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C20H18ClN3O2/c1-12-10-15(11-23(3)19(12)25)24-17(13-4-6-14(21)7-5-13)18-16(20(24)26)8-9-22(18)2/h4-11,17H,1-3H3
InChIKeyQNRNHBQTJGHZSO-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.44
Rot. Bonds2

About 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one

6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 122553445) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID122553445
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1cc(N2C(=O)c3ccn(C)c3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C20H18ClN3O2/c1-12-10-15(11-23(3)19(12)25)24-17(13-4-6-14(21)7-5-13)18-16(20(24)26)8-9-22(18)2/h4-11,17H,1-3H3
InChIKeyQNRNHBQTJGHZSO-UHFFFAOYSA-N
XLogP3.44
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 122553445) is 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is Cc1cc(N2C(=O)c3ccn(C)c3C2c2ccc(Cl)cc2)cn(C)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is QNRNHBQTJGHZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-10-15(11-23(3)19(12)25)24-17(13-4-6-14(21)7-5-13)18-16(20(24)26)8-9-22(18)2/h4-11,17H,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 367.84 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 122553445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).