3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one

C17H18N4O3S2 — CID 119104587

IUPAC3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)s1
InChIInChI=1S/C17H18N4O3S2/c1-12-4-5-15(25-12)26(23,24)20-9-6-13(7-10-20)21-11-19-16-14(17(21)22)3-2-8-18-16/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyDPCSEYWVGRSJGV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.19
Rot. Bonds3

About 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one

3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 119104587) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID119104587
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(S(=O)(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)s1
InChIInChI=1S/C17H18N4O3S2/c1-12-4-5-15(25-12)26(23,24)20-9-6-13(7-10-20)21-11-19-16-14(17(21)22)3-2-8-18-16/h2-5,8,11,13H,6-7,9-10H2,1H3
InChIKeyDPCSEYWVGRSJGV-UHFFFAOYSA-N
XLogP2.19
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one (CID 119104587) is 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(S(=O)(=O)N2CCC(n3cnc4ncccc4c3=O)CC2)s1.
What is the InChIKey of 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is DPCSEYWVGRSJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-12-4-5-15(25-12)26(23,24)20-9-6-13(7-10-20)21-11-19-16-14(17(21)22)3-2-8-18-16/h2-5,8,11,13H,6-7,9-10H2,1H3.
What are the key properties of 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one?
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 390.49 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 119104587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).