6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H23N5O4S — CID 136796401

IUPAC6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)N1CCc2nc(C3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1
InChIInChI=1S/C19H23N5O4S/c1-29(27,28)23-11-8-14-13(12-23)18(25)22-17(21-14)16-7-3-5-10-24(16)19(26)15-6-2-4-9-20-15/h2,4,6,9,16H,3,5,7-8,10-12H2,1H3,(H,21,22,25)
InChIKeyWSAFNMUTRWMNMR-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.85
Rot. Bonds3

About 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796401) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796401
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCS(=O)(=O)N1CCc2nc(C3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1
InChIInChI=1S/C19H23N5O4S/c1-29(27,28)23-11-8-14-13(12-23)18(25)22-17(21-14)16-7-3-5-10-24(16)19(26)15-6-2-4-9-20-15/h2,4,6,9,16H,3,5,7-8,10-12H2,1H3,(H,21,22,25)
InChIKeyWSAFNMUTRWMNMR-UHFFFAOYSA-N
XLogP0.85
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796658
2-[(2R)-1-(2-methylbenzoyl)piperidin-2-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136763325
2-[(2S)-1-(2-methoxybenzoyl)piperidin-2-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136850448
2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136861069
6-(2-cyclopentylacetyl)-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796380
6-(4-methylcyclohexyl)-2-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891805
7-(cyclohexanecarbonyl)-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796605
7-(cyclohexanecarbonyl)-2-[(2R)-1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136682236
2-[(2R)-1-[2-(2-fluorophenyl)acetyl]piperidin-2-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136850650
2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-7-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136850757
6-[(2-fluorophenyl)methyl]-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795859
6-[(2-fluorophenyl)methyl]-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681942

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796401) is 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CS(=O)(=O)N1CCc2nc(C3CCCCN3C(=O)c3ccccn3)[nH]c(=O)c2C1.
What is the InChIKey of 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WSAFNMUTRWMNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-29(27,28)23-11-8-14-13(12-23)18(25)22-17(21-14)16-7-3-5-10-24(16)19(26)15-6-2-4-9-20-15/h2,4,6,9,16H,3,5,7-8,10-12H2,1H3,(H,21,22,25).
What are the key properties of 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 417.49 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).