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

C20H17ClFN3O2 — CID 122553433

IUPAC6-(4-chloro-3-fluorophenyl)-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)c(F)c2)cn(C)c1=O
InChIInChI=1S/C20H17ClFN3O2/c1-11-8-13(10-24(3)19(11)26)25-17(12-4-5-15(21)16(22)9-12)18-14(20(25)27)6-7-23(18)2/h4-10,17H,1-3H3
InChIKeyDTIQMIRHDCHPIP-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.57
Rot. Bonds2

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

6-(4-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 122553433) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID122553433
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name6-(4-chloro-3-fluorophenyl)-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)c(F)c2)cn(C)c1=O
InChIInChI=1S/C20H17ClFN3O2/c1-11-8-13(10-24(3)19(11)26)25-17(12-4-5-15(21)16(22)9-12)18-14(20(25)27)6-7-23(18)2/h4-10,17H,1-3H3
InChIKeyDTIQMIRHDCHPIP-UHFFFAOYSA-N
XLogP3.57
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-chloro-3-fluorophenyl)-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-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 6-(4-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 122553433) is 6-(4-chloro-3-fluorophenyl)-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-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 6-(4-chloro-3-fluorophenyl)-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)c(F)c2)cn(C)c1=O.
What is the InChIKey of 6-(4-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is DTIQMIRHDCHPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-11-8-13(10-24(3)19(11)26)25-17(12-4-5-15(21)16(22)9-12)18-14(20(25)27)6-7-23(18)2/h4-10,17H,1-3H3.
What are the key properties of 6-(4-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
6-(4-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 385.83 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 122553433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).