6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one

C19H27N5O3S — CID 126941615

IUPAC6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)c1
InChIInChI=1S/C19H27N5O3S/c1-14(2)22-11-18(21-13-22)28(26,27)24-7-5-15(6-8-24)10-23-12-20-17(9-19(23)25)16-3-4-16/h9,11-16H,3-8,10H2,1-2H3
InChIKeyMCYRDRTYBKXFEM-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.00
Rot. Bonds6

About 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941615) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941615
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)c1
InChIInChI=1S/C19H27N5O3S/c1-14(2)22-11-18(21-13-22)28(26,27)24-7-5-15(6-8-24)10-23-12-20-17(9-19(23)25)16-3-4-16/h9,11-16H,3-8,10H2,1-2H3
InChIKeyMCYRDRTYBKXFEM-UHFFFAOYSA-N
XLogP2.00
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126865228
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942550
6-cyclopropyl-3-[[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941621
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
CID 119105849
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941776
6-cyclopropyl-3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941866
3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942181
6-cyclopropyl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941646
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
6-cyclopropyl-3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941926

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one (CID 126941615) is 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one is CC(C)n1cnc(S(=O)(=O)N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)c1.
What is the InChIKey of 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is MCYRDRTYBKXFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-14(2)22-11-18(21-13-22)28(26,27)24-7-5-15(6-8-24)10-23-12-20-17(9-19(23)25)16-3-4-16/h9,11-16H,3-8,10H2,1-2H3.
What are the key properties of 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 405.52 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).