5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one

C23H25N3O3S — CID 69083488

IUPAC5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C23H25N3O3S/c1-14-10-19(21-20(28-3)8-9-24-22(21)29-4)26(23(14)27)12-16-6-5-7-17(11-16)18-13-30-15(2)25-18/h5-9,11,13-14,19H,10,12H2,1-4H3
InChIKeyRRXDXVXPVJIGDF-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.64
Rot. Bonds6

About 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one

5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 69083488) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID69083488
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C23H25N3O3S/c1-14-10-19(21-20(28-3)8-9-24-22(21)29-4)26(23(14)27)12-16-6-5-7-17(11-16)18-13-30-15(2)25-18/h5-9,11,13-14,19H,10,12H2,1-4H3
InChIKeyRRXDXVXPVJIGDF-UHFFFAOYSA-N
XLogP4.64
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one (CID 69083488) is 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one is COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is RRXDXVXPVJIGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-14-10-19(21-20(28-3)8-9-24-22(21)29-4)26(23(14)27)12-16-6-5-7-17(11-16)18-13-30-15(2)25-18/h5-9,11,13-14,19H,10,12H2,1-4H3.
What are the key properties of 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 423.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69083488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).