5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one

C24H25ClN4O3 — CID 142795946

IUPAC5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCOc1ncc(C2=C(C)C(c3ccc(Cl)cc3)C(c3cc(C)c(=O)n(C)c3)N2)c(OC)n1
InChIInChI=1S/C24H25ClN4O3/c1-13-10-16(12-29(3)23(13)30)21-19(15-6-8-17(25)9-7-15)14(2)20(27-21)18-11-26-24(32-5)28-22(18)31-4/h6-12,19,21,27H,1-5H3
InChIKeyIGWLSXIYNIAUML-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.01
Rot. Bonds5

About 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one

5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 142795946) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID142795946
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCOc1ncc(C2=C(C)C(c3ccc(Cl)cc3)C(c3cc(C)c(=O)n(C)c3)N2)c(OC)n1
InChIInChI=1S/C24H25ClN4O3/c1-13-10-16(12-29(3)23(13)30)21-19(15-6-8-17(25)9-7-15)14(2)20(27-21)18-11-26-24(32-5)28-22(18)31-4/h6-12,19,21,27H,1-5H3
InChIKeyIGWLSXIYNIAUML-UHFFFAOYSA-N
XLogP4.01
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one (CID 142795946) is 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one is COc1ncc(C2=C(C)C(c3ccc(Cl)cc3)C(c3cc(C)c(=O)n(C)c3)N2)c(OC)n1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is IGWLSXIYNIAUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-13-10-16(12-29(3)23(13)30)21-19(15-6-8-17(25)9-7-15)14(2)20(27-21)18-11-26-24(32-5)28-22(18)31-4/h6-12,19,21,27H,1-5H3.
What are the key properties of 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one?
5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 452.94 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-5-(2,4-dimethoxypyrimidin-5-yl)-4-methyl-2,3-dihydro-1H-pyrrol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 142795946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).