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

C20H17Cl2N3O2 — CID 127030726

IUPAC(6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1cn(C)c2c1C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2N3O2/c1-11-9-23(2)18-16(11)20(27)25(14-8-15(22)19(26)24(3)10-14)17(18)12-4-6-13(21)7-5-12/h4-10,17H,1-3H3/t17-/m1/s1
InChIKeyYGJASOUKNQFBMB-QGZVFWFLSA-N
MW402.28 g/mol
LogP4.09
Rot. Bonds2

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

(6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 127030726) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

Compound Name(6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one
PubChem CID127030726
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name(6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one
SMILESCc1cn(C)c2c1C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2N3O2/c1-11-9-23(2)18-16(11)20(27)25(14-8-15(22)19(26)24(3)10-14)17(18)12-4-6-13(21)7-5-12/h4-10,17H,1-3H3/t17-/m1/s1
InChIKeyYGJASOUKNQFBMB-QGZVFWFLSA-N
XLogP4.09
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The IUPAC name of (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one (CID 127030726) is (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one.
What is the SMILES notation for (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The canonical SMILES for (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one is Cc1cn(C)c2c1C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1.
What is the InChIKey of (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
The InChIKey is YGJASOUKNQFBMB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-11-9-23(2)18-16(11)20(27)25(14-8-15(22)19(26)24(3)10-14)17(18)12-4-6-13(21)7-5-12/h4-10,17H,1-3H3/t17-/m1/s1.
What are the key properties of (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one?
(6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 402.28 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1,3-dimethyl-6H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 127030726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).