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

C19H15Cl2N3O2 — CID 122553396

IUPAC5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCn1ccc2c1C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
InChIInChI=1S/C19H15Cl2N3O2/c1-22-8-7-14-17(22)16(11-3-5-12(20)6-4-11)24(18(14)25)13-9-15(21)19(26)23(2)10-13/h3-10,16H,1-2H3
InChIKeyXPDXANVGYAEATN-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.78
Rot. Bonds2

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

5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 122553396) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID122553396
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCn1ccc2c1C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
InChIInChI=1S/C19H15Cl2N3O2/c1-22-8-7-14-17(22)16(11-3-5-12(20)6-4-11)24(18(14)25)13-9-15(21)19(26)23(2)10-13/h3-10,16H,1-2H3
InChIKeyXPDXANVGYAEATN-UHFFFAOYSA-N
XLogP3.78
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 122553396) is 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is Cn1ccc2c1C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O.
What is the InChIKey of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is XPDXANVGYAEATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-22-8-7-14-17(22)16(11-3-5-12(20)6-4-11)24(18(14)25)13-9-15(21)19(26)23(2)10-13/h3-10,16H,1-2H3.
What are the key properties of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 388.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 122553396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).