5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

C23H23N5O3S — CID 50786610

IUPAC5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1-c1noc(-c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)n1
InChIInChI=1S/C23H23N5O3S/c1-14-8-4-5-9-16(14)20-25-21(31-26-20)19-15(2)18-22(32-19)24-13-28(23(18)30)12-17(29)27-10-6-3-7-11-27/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChIKeyUSYMGMDPDYXFSH-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.80
Rot. Bonds4

About 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one

5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 50786610) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID50786610
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1-c1noc(-c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)n1
InChIInChI=1S/C23H23N5O3S/c1-14-8-4-5-9-16(14)20-25-21(31-26-20)19-15(2)18-22(32-19)24-13-28(23(18)30)12-17(29)27-10-6-3-7-11-27/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChIKeyUSYMGMDPDYXFSH-UHFFFAOYSA-N
XLogP3.80
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-4-one
CID 50786824
N-butan-2-yl-2-[5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786654
N-(3-methylbutyl)-2-[5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786676
5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889105
2-[5-methyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylphenyl)acetamide
CID 50786744
2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 50786804
2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]-N-phenylacetamide
CID 50786497
2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 50786153
1-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42952360
N-(2,6-dimethylphenyl)-2-[5-methyl-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786723
2-[6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 50743401
6-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-[(3,5-difluorophenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 53332028

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one (CID 50786610) is 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is Cc1ccccc1-c1noc(-c2sc3ncn(CC(=O)N4CCCCC4)c(=O)c3c2C)n1.
What is the InChIKey of 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is USYMGMDPDYXFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14-8-4-5-9-16(14)20-25-21(31-26-20)19-15(2)18-22(32-19)24-13-28(23(18)30)12-17(29)27-10-6-3-7-11-27/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3.
What are the key properties of 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one?
5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 449.54 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 50786610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).