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

C19H15ClFN3O2 — CID 122553378

IUPAC5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCn1ccc2c1C(c1ccc(F)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
InChIInChI=1S/C19H15ClFN3O2/c1-22-8-7-14-17(22)16(11-3-5-12(21)6-4-11)24(18(14)25)13-9-15(20)19(26)23(2)10-13/h3-10,16H,1-2H3
InChIKeyIXWMDWQZYYSEGS-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.27
Rot. Bonds2

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

5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 122553378) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID122553378
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCn1ccc2c1C(c1ccc(F)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
InChIInChI=1S/C19H15ClFN3O2/c1-22-8-7-14-17(22)16(11-3-5-12(21)6-4-11)24(18(14)25)13-9-15(20)19(26)23(2)10-13/h3-10,16H,1-2H3
InChIKeyIXWMDWQZYYSEGS-UHFFFAOYSA-N
XLogP3.27
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-2-(1-methyl-2-oxo-4-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one
CID 122553478
4-[2-bromo-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-oxo-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-6-yl]-2-fluorobenzonitrile
CID 86703153
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-1,3-dimethyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 86292000
4-[2-bromo-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-1-(1-methoxypropan-2-yl)-4-oxo-6H-pyrrolo[3,4-b]pyrrol-6-yl]benzonitrile
CID 123953498
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 137301305
6-(4-chlorophenyl)-2-[2-(dimethylamino)pyrimidin-5-yl]-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
CID 122553463
1-(3,4-dichlorophenyl)-3-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108679235
4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 86294479
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 136621315
3-tert-butyl-4-(4-chlorophenyl)-2-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86567571
(4E,5S)-1-(3-chloro-4-methylphenyl)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 98335482
1-(3-chloro-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108679148

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-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-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 122553378) is 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is Cn1ccc2c1C(c1ccc(F)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-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is IXWMDWQZYYSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-22-8-7-14-17(22)16(11-3-5-12(21)6-4-11)24(18(14)25)13-9-15(20)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-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 371.80 g/mol, XLogP of 3.27, 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-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 122553378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).