[6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone

C17H17N3O3S — CID 22605872

IUPAC[6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone
SMILESCS(=O)(=O)c1ccc(C2=NN(C(=O)c3cccnc3)CCC2)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)15-8-6-13(7-9-15)16-5-3-11-20(19-16)17(21)14-4-2-10-18-12-14/h2,4,6-10,12H,3,5,11H2,1H3
InChIKeyKLGJTDGIJRPVTB-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.13
Rot. Bonds3

About [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone

[6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone (PubChem CID 22605872) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone
PubChem CID22605872
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name[6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone
SMILESCS(=O)(=O)c1ccc(C2=NN(C(=O)c3cccnc3)CCC2)cc1
InChIInChI=1S/C17H17N3O3S/c1-24(22,23)15-8-6-13(7-9-15)16-5-3-11-20(19-16)17(21)14-4-2-10-18-12-14/h2,4,6-10,12H,3,5,11H2,1H3
InChIKeyKLGJTDGIJRPVTB-UHFFFAOYSA-N
XLogP2.13
TPSA79.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 12972096
[5-(4-propan-2-ylsulfinylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 22605740
[5-(4-butoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 22605795
(6-methyl-3-pyridinyl)-(5-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 22605816
pyridin-3-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496594
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] pyridine-3-carboxylate
CID 9414174
[4-(4-methylsulfonylphenyl)-5-morpholin-4-ylthiophen-2-yl]-pyridin-3-ylmethanone
CID 69026448
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
1-(pyridine-3-carbonyl)piperidin-2-one
CID 18935202
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
N-[3-[6-(3,4-dimethoxyphenyl)-4,5-dihydro-3H-pyridazine-2-carbonyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 18403713

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone (CID 22605872) is [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone is CS(=O)(=O)c1ccc(C2=NN(C(=O)c3cccnc3)CCC2)cc1.
What is the InChIKey of [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone?
The InChIKey is KLGJTDGIJRPVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-24(22,23)15-8-6-13(7-9-15)16-5-3-11-20(19-16)17(21)14-4-2-10-18-12-14/h2,4,6-10,12H,3,5,11H2,1H3.
What are the key properties of [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone?
[6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone has a molecular weight of 343.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylsulfonylphenyl)-4,5-dihydro-3H-pyridazin-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 22605872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).