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

C19H16ClN3O2 — CID 122553409

IUPAC6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCn1ccc2c1C(c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O
InChIInChI=1S/C19H16ClN3O2/c1-21-10-9-15-18(21)17(12-3-5-13(20)6-4-12)23(19(15)25)14-7-8-16(24)22(2)11-14/h3-11,17H,1-2H3
InChIKeyJLARNLKIMMBRHR-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.13
Rot. Bonds2

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

6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 122553409) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID122553409
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCn1ccc2c1C(c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O
InChIInChI=1S/C19H16ClN3O2/c1-21-10-9-15-18(21)17(12-3-5-13(20)6-4-12)23(19(15)25)14-7-8-16(24)22(2)11-14/h3-11,17H,1-2H3
InChIKeyJLARNLKIMMBRHR-UHFFFAOYSA-N
XLogP3.13
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-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)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 122553409) is 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one is Cn1ccc2c1C(c1ccc(Cl)cc1)N(c1ccc(=O)n(C)c1)C2=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is JLARNLKIMMBRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-21-10-9-15-18(21)17(12-3-5-13(20)6-4-12)23(19(15)25)14-7-8-16(24)22(2)11-14/h3-11,17H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 353.81 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-methyl-5-(1-methyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 122553409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).