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

C19H14Cl2FN3O2 — CID 122553406

IUPAC6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCn1ccc2c1C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
InChIInChI=1S/C19H14Cl2FN3O2/c1-23-6-5-12-17(23)16(10-3-4-13(20)15(22)7-10)25(18(12)26)11-8-14(21)19(27)24(2)9-11/h3-9,16H,1-2H3
InChIKeyAWTFSKPTZUHXSW-UHFFFAOYSA-N
MW406.24 g/mol
LogP3.92
Rot. Bonds2

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

6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 122553406) has the molecular formula C19H14Cl2FN3O2 and a molecular weight of 406.24 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID122553406
Molecular FormulaC19H14Cl2FN3O2
Molecular Weight406.24 g/mol
Exact Mass405.04
IUPAC Name6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCn1ccc2c1C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
InChIInChI=1S/C19H14Cl2FN3O2/c1-23-6-5-12-17(23)16(10-3-4-13(20)15(22)7-10)25(18(12)26)11-8-14(21)19(27)24(2)9-11/h3-9,16H,1-2H3
InChIKeyAWTFSKPTZUHXSW-UHFFFAOYSA-N
XLogP3.92
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 122553406) is 6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-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-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is Cn1ccc2c1C(c1ccc(Cl)c(F)c1)N(c1cc(Cl)c(=O)n(C)c1)C2=O.
What is the InChIKey of 6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is AWTFSKPTZUHXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O2/c1-23-6-5-12-17(23)16(10-3-4-13(20)15(22)7-10)25(18(12)26)11-8-14(21)19(27)24(2)9-11/h3-9,16H,1-2H3.
What are the key properties of 6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
6-(4-chloro-3-fluorophenyl)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 406.24 g/mol, XLogP of 3.92, 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-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 122553406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).