2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one

C21H22N4O2S — CID 17441672

IUPAC2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
SMILESCC1CCCCN1C(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C21H22N4O2S/c1-15-8-5-6-13-24(15)18(26)14-28-21-23-19-17(11-7-12-22-19)20(27)25(21)16-9-3-2-4-10-16/h2-4,7,9-12,15H,5-6,8,13-14H2,1H3
InChIKeyCSQIGIIXFREYHX-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.27
Rot. Bonds4

About 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one

2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 17441672) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
PubChem CID17441672
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
SMILESCC1CCCCN1C(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C21H22N4O2S/c1-15-8-5-6-13-24(15)18(26)14-28-21-23-19-17(11-7-12-22-19)20(27)25(21)16-9-3-2-4-10-16/h2-4,7,9-12,15H,5-6,8,13-14H2,1H3
InChIKeyCSQIGIIXFREYHX-UHFFFAOYSA-N
XLogP3.27
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
CID 17441182
3-(4-methylphenyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 2085188
2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8898376
N-cyclopropyl-2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17438808
dimethyl-[3-[2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium
CID 9374163
5-benzyl-4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 94071325
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 2610925
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 20887458
4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-5-[(2R)-2-phenylpropyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 94071439
2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 38834993
2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 112776813
2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 7224396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one (CID 17441672) is 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one is CC1CCCCN1C(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is CSQIGIIXFREYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15-8-5-6-13-24(15)18(26)14-28-21-23-19-17(11-7-12-22-19)20(27)25(21)16-9-3-2-4-10-16/h2-4,7,9-12,15H,5-6,8,13-14H2,1H3.
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one?
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 394.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 17441672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).