3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one

C24H21N3O2S — CID 10949738

IUPAC3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3nc(C4CC4)cs3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
InChIKeyCVNPFPRAINQAHI-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.12
Rot. Bonds5

About 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one

3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one (PubChem CID 10949738) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
PubChem CID10949738
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(-c3nc(C4CC4)cs3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
InChIKeyCVNPFPRAINQAHI-UHFFFAOYSA-N
XLogP5.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one (CID 10949738) is 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one is COc1ccc(-c2cc(-c3nc(C4CC4)cs3)c(=O)n(C)c2-c2ccncc2)cc1.
What is the InChIKey of 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one?
The InChIKey is CVNPFPRAINQAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3.
What are the key properties of 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one?
3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one has a molecular weight of 415.52 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(4-methoxyphenyl)-1-methyl-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 10949738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).