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

C21H20N6O3S — CID 50786824

IUPAC5-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
SMILESCc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12
InChIInChI=1S/C21H20N6O3S/c1-13-16-20(23-12-27(21(16)29)11-15(28)26-9-3-2-4-10-26)31-17(13)19-24-18(25-30-19)14-5-7-22-8-6-14/h5-8,12H,2-4,9-11H2,1H3
InChIKeyFAVQBPCKCPFFSF-UHFFFAOYSA-N
MW436.50 g/mol
LogP2.89
Rot. Bonds4

About 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

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 (PubChem CID 50786824) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID50786824
Molecular FormulaC21H20N6O3S
Molecular Weight436.50 g/mol
Exact Mass436.13
IUPAC Name5-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
SMILESCc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12
InChIInChI=1S/C21H20N6O3S/c1-13-16-20(23-12-27(21(16)29)11-15(28)26-9-3-2-4-10-26)31-17(13)19-24-18(25-30-19)14-5-7-22-8-6-14/h5-8,12H,2-4,9-11H2,1H3
InChIKeyFAVQBPCKCPFFSF-UHFFFAOYSA-N
XLogP2.89
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889105
2-[5-methyl-4-oxo-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 50786754
N-(2,3-dimethylphenyl)-2-[5-methyl-4-oxo-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786591
N-(2-methoxy-5-methylphenyl)-2-[5-methyl-4-oxo-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786680
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-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 50786860
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
N-[(2S)-butan-2-yl]-2-[6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 95050213
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
N-(4-methoxyphenyl)-2-[5-methyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786791
N-(3-chlorophenyl)-2-[5-methyl-4-oxo-6-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 50786178

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2nc(-c3ccncc3)no2)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12.
What is the InChIKey of 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?
The InChIKey is FAVQBPCKCPFFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-13-16-20(23-12-27(21(16)29)11-15(28)26-9-3-2-4-10-26)31-17(13)19-24-18(25-30-19)14-5-7-22-8-6-14/h5-8,12H,2-4,9-11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 436.50 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 50786824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).