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

C22H20ClN3O2 — CID 86703242

IUPAC6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1cc(N2C(=O)c3ccn(C4CC4)c3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C22H20ClN3O2/c1-13-11-17(12-24(2)21(13)27)26-19(14-3-5-15(23)6-4-14)20-18(22(26)28)9-10-25(20)16-7-8-16/h3-6,9-12,16,19H,7-8H2,1-2H3
InChIKeyIEEQBCSZMPIUGM-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.23
Rot. Bonds3

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

6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 86703242) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID86703242
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1cc(N2C(=O)c3ccn(C4CC4)c3C2c2ccc(Cl)cc2)cn(C)c1=O
InChIInChI=1S/C22H20ClN3O2/c1-13-11-17(12-24(2)21(13)27)26-19(14-3-5-15(23)6-4-14)20-18(22(26)28)9-10-25(20)16-7-8-16/h3-6,9-12,16,19H,7-8H2,1-2H3
InChIKeyIEEQBCSZMPIUGM-UHFFFAOYSA-N
XLogP4.23
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 86703242) is 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one is Cc1cc(N2C(=O)c3ccn(C4CC4)c3C2c2ccc(Cl)cc2)cn(C)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is IEEQBCSZMPIUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-13-11-17(12-24(2)21(13)27)26-19(14-3-5-15(23)6-4-14)20-18(22(26)28)9-10-25(20)16-7-8-16/h3-6,9-12,16,19H,7-8H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one?
6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 393.87 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 86703242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).