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

C19H27N5O3S — CID 126865228

IUPAC6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)c1
InChIInChI=1S/C19H27N5O3S/c1-14(2)22-12-18(20-13-22)28(26,27)23-9-7-15(8-10-23)11-24-19(25)6-5-17(21-24)16-3-4-16/h5-6,12-16H,3-4,7-11H2,1-2H3
InChIKeyAQNWQVWNMDDNEB-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.00
Rot. Bonds6

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

6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865228) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865228
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)c1
InChIInChI=1S/C19H27N5O3S/c1-14(2)22-12-18(20-13-22)28(26,27)23-9-7-15(8-10-23)11-24-19(25)6-5-17(21-24)16-3-4-16/h5-6,12-16H,3-4,7-11H2,1-2H3
InChIKeyAQNWQVWNMDDNEB-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-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-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
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]morpholine-3,5-dione
CID 119105849
6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126863917
6-cyclopropyl-2-[[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865258
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313
2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]triazole
CID 121178903
1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]ethanol
CID 109379638
(4-methylpiperidin-1-yl)-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methanone
CID 53007812
4-cyclopropyl-1-propan-2-ylimidazole
CID 131116967
N-(4-ethylphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53085553
2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863482
4-[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 124590329

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one (CID 126865228) is 6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one is CC(C)n1cnc(S(=O)(=O)N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)c1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is AQNWQVWNMDDNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-14(2)22-12-18(20-13-22)28(26,27)23-9-7-15(8-10-23)11-24-19(25)6-5-17(21-24)16-3-4-16/h5-6,12-16H,3-4,7-11H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-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-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).