7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one

C24H27N3O3S — CID 69082784

IUPAC7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one
SMILESCOc1cncc(OC)c1C1CCCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C24H27N3O3S/c1-16-26-19(15-31-16)18-8-6-7-17(11-18)14-27-20(9-4-5-10-23(27)28)24-21(29-2)12-25-13-22(24)30-3/h6-8,11-13,15,20H,4-5,9-10,14H2,1-3H3
InChIKeyIOJXZWGQMBAHIF-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.17
Rot. Bonds6

About 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one

7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one (PubChem CID 69082784) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one.

Molecular Properties

Compound Name7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one
PubChem CID69082784
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one
SMILESCOc1cncc(OC)c1C1CCCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C24H27N3O3S/c1-16-26-19(15-31-16)18-8-6-7-17(11-18)14-27-20(9-4-5-10-23(27)28)24-21(29-2)12-25-13-22(24)30-3/h6-8,11-13,15,20H,4-5,9-10,14H2,1-3H3
InChIKeyIOJXZWGQMBAHIF-UHFFFAOYSA-N
XLogP5.17
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one with MolForge

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Related Compounds

Pyridin-3-yl 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 127047752
6-(2,4-Dimethoxypyridin-3-yl)-1-((2-phenylthiazol-4-yl)methyl)piperidin-2-one
CID 69081444
6-(2,6-Dimethoxyphenyl)-1-((2-(thiazol-2-yl)pyridin-4-yl)methyl)piperidin-2-one
CID 69081742
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one
CID 11101191
6-(3,5-Dimethoxypyridin-4-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
CID 69081780
5-(2-Ethoxy-6-fluorophenyl)-3-methyl-1-((2-(4-methylthiazol-2-yl)pyridin-4-yl)methyl)pyrrolidin-2-one
CID 69081839
6-(3,5-Dimethoxypyridin-4-yl)-1-((2-phenylthiazol-4-yl)methyl)piperidin-2-one
CID 69082607
5-(2,4-Dimethoxypyridin-3-yl)-3-methyl-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
CID 69083488
7-(3,5-Dimethoxypyridin-4-yl)-1-((2-phenylthiazol-4-yl)methyl)azepan-2-one
CID 69083805
6-(3,5-Dimethoxypyridin-4-yl)-1-(3-(thiazol-2-yl)benzyl)piperidin-2-one
CID 69083823
6-(2,4-Dimethoxypyridin-3-yl)-1-(3-(thiazol-2-yl)benzyl)piperidin-2-one
CID 69084291
6-(2,6-Dimethoxyphenyl)-1-((6-(thiazol-2-yl)pyridin-2-yl)methyl)piperidin-2-one
CID 69084318

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one?
The IUPAC name of 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one (CID 69082784) is 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one.
What is the SMILES notation for 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one?
The canonical SMILES for 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one is COc1cncc(OC)c1C1CCCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one?
The InChIKey is IOJXZWGQMBAHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-26-19(15-31-16)18-8-6-7-17(11-18)14-27-20(9-4-5-10-23(27)28)24-21(29-2)12-25-13-22(24)30-3/h6-8,11-13,15,20H,4-5,9-10,14H2,1-3H3.
What are the key properties of 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one?
7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one has a molecular weight of 437.57 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxy-4-pyridinyl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]azepan-2-one is sourced from PubChem (CID 69082784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).