2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C20H24N6O3S — CID 126863482

IUPAC2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C20H24N6O3S/c1-14-20(15(2)23-22-14)30(28,29)25-11-7-16(8-12-25)13-26-19(27)4-3-18(24-26)17-5-9-21-10-6-17/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,22,23)
InChIKeyCHKMBLLACGMGIB-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.75
Rot. Bonds5

About 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126863482) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126863482
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C20H24N6O3S/c1-14-20(15(2)23-22-14)30(28,29)25-11-7-16(8-12-25)13-26-19(27)4-3-18(24-26)17-5-9-21-10-6-17/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,22,23)
InChIKeyCHKMBLLACGMGIB-UHFFFAOYSA-N
XLogP1.75
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929655
6-tert-butyl-2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927719
2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863595
2-[[1-(azepan-1-ylsulfonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929740
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863401
2-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863466
2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863740
2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863518
4-[(4-chlorophenyl)methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 86704291

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126863482) is 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Cn2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is CHKMBLLACGMGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-14-20(15(2)23-22-14)30(28,29)25-11-7-16(8-12-25)13-26-19(27)4-3-18(24-26)17-5-9-21-10-6-17/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,22,23).
What are the key properties of 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 428.52 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126863482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).