4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C18H28N4O3S — CID 92629173

IUPAC4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(S(C)(=O)=O)CC2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C18H28N4O3S/c1-12(2)11-22-16(23)6-5-15-13(3)19-17(20-18(15)22)14-7-9-21(10-8-14)26(4,24)25/h12,14H,5-11H2,1-4H3
InChIKeyXRQLRJSYWGIBJE-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.86
Rot. Bonds4

About 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629173) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629173
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(S(C)(=O)=O)CC2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C18H28N4O3S/c1-12(2)11-22-16(23)6-5-15-13(3)19-17(20-18(15)22)14-7-9-21(10-8-14)26(4,24)25/h12,14H,5-11H2,1-4H3
InChIKeyXRQLRJSYWGIBJE-UHFFFAOYSA-N
XLogP1.86
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629173) is 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(S(C)(=O)=O)CC2)nc2c1CCC(=O)N2CC(C)C.
What is the InChIKey of 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XRQLRJSYWGIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-12(2)11-22-16(23)6-5-15-13(3)19-17(20-18(15)22)14-7-9-21(10-8-14)26(4,24)25/h12,14H,5-11H2,1-4H3.
What are the key properties of 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 380.51 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(2-methylpropyl)-2-(1-methylsulfonylpiperidin-4-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).