3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

C19H22N6O3S — CID 126942550

IUPAC3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1cnc(S(=O)(=O)N2CCC(Cn3cnc(-c4ccncc4)cc3=O)CC2)c1
InChIInChI=1S/C19H22N6O3S/c1-23-12-18(22-13-23)29(27,28)25-8-4-15(5-9-25)11-24-14-21-17(10-19(24)26)16-2-6-20-7-3-16/h2-3,6-7,10,12-15H,4-5,8-9,11H2,1H3
InChIKeyAIEDNDPRGDKEBG-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.14
Rot. Bonds5

About 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one

3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 126942550) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
PubChem CID126942550
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1cnc(S(=O)(=O)N2CCC(Cn3cnc(-c4ccncc4)cc3=O)CC2)c1
InChIInChI=1S/C19H22N6O3S/c1-23-12-18(22-13-23)29(27,28)25-8-4-15(5-9-25)11-24-14-21-17(10-19(24)26)16-2-6-20-7-3-16/h2-3,6-7,10,12-15H,4-5,8-9,11H2,1H3
InChIKeyAIEDNDPRGDKEBG-UHFFFAOYSA-N
XLogP1.14
TPSA102.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one with MolForge

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Related Compounds

6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
CID 126941615
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942845
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942600
6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942580
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942798
3-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942699
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-4-yl-1,8-naphthyridine
CID 155975409
4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 91908949
6-pyridin-4-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942838
3-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943090
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942767
N-(oxan-4-yl)-4-[(6-oxo-4-pyridin-4-ylpyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126942500

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one (CID 126942550) is 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is Cn1cnc(S(=O)(=O)N2CCC(Cn3cnc(-c4ccncc4)cc3=O)CC2)c1.
What is the InChIKey of 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is AIEDNDPRGDKEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-23-12-18(22-13-23)29(27,28)25-8-4-15(5-9-25)11-24-14-21-17(10-19(24)26)16-2-6-20-7-3-16/h2-3,6-7,10,12-15H,4-5,8-9,11H2,1H3.
What are the key properties of 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one?
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 414.49 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 126942550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).