5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one

C16H20N4O2S — CID 135412573

IUPAC5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)N3CCCCC3)nc2n1
InChIInChI=1S/C16H20N4O2S/c1-10-8-11(2)17-14-13(10)15(22)19-16(18-14)23-9-12(21)20-6-4-3-5-7-20/h8H,3-7,9H2,1-2H3,(H,17,18,19,22)
InChIKeyMUGMQAXFBYICFW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.04
Rot. Bonds3

About 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one

5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135412573) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135412573
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)N3CCCCC3)nc2n1
InChIInChI=1S/C16H20N4O2S/c1-10-8-11(2)17-14-13(10)15(22)19-16(18-14)23-9-12(21)20-6-4-3-5-7-20/h8H,3-7,9H2,1-2H3,(H,17,18,19,22)
InChIKeyMUGMQAXFBYICFW-UHFFFAOYSA-N
XLogP2.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135412573) is 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(=O)[nH]c(SCC(=O)N3CCCCC3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MUGMQAXFBYICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-8-11(2)17-14-13(10)15(22)19-16(18-14)23-9-12(21)20-6-4-3-5-7-20/h8H,3-7,9H2,1-2H3,(H,17,18,19,22).
What are the key properties of 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 332.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135412573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).