3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride

C21H22Cl2N6O2S — CID 134141075

IUPAC3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1nc2c(NCc3ccccn3)cc(Cl)nn2c1-c1cccc(S(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C21H21ClN6O2S.ClH/c1-14-20(15-7-6-9-17(11-15)31(29,30)27(2)3)28-21(25-14)18(12-19(22)26-28)24-13-16-8-4-5-10-23-16;/h4-12,24H,13H2,1-3H3;1H
InChIKeyFZUOXZBMPNHHJV-UHFFFAOYSA-N
MW493.42 g/mol
LogP4.04
Rot. Bonds6

About 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride

3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 134141075) has the molecular formula C21H22Cl2N6O2S and a molecular weight of 493.42 g/mol. Its IUPAC name is 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
PubChem CID134141075
Molecular FormulaC21H22Cl2N6O2S
Molecular Weight493.42 g/mol
Exact Mass492.09
IUPAC Name3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1nc2c(NCc3ccccn3)cc(Cl)nn2c1-c1cccc(S(=O)(=O)N(C)C)c1.Cl
InChIInChI=1S/C21H21ClN6O2S.ClH/c1-14-20(15-7-6-9-17(11-15)31(29,30)27(2)3)28-21(25-14)18(12-19(22)26-28)24-13-16-8-4-5-10-23-16;/h4-12,24H,13H2,1-3H3;1H
InChIKeyFZUOXZBMPNHHJV-UHFFFAOYSA-N
XLogP4.04
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Zelenirstat
CID 58561243
Ddd-85646
CID 44199337
Sgk1-IN-1
CID 71506845
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
Imidazo[1,2-b]pyridazine deriv. 2c
CID 6539039
2,6-Dichloro-4-(6-Piperazin-1-Ylpyridin-3-Yl)-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)benzenesulfonamide
CID 54669607
Sgk1-IN-2
CID 71537261
N-(2-((6-chloro-3-(3-(N,N-dimethylsulfamoyl)phenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl)amino)ethyl)acetamide
CID 91758319
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
N-(6-(6-chloro-5-(4-fluorophenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 44124863
N-tert-butyl-3-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 57394178

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride (CID 134141075) is 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride is Cc1nc2c(NCc3ccccn3)cc(Cl)nn2c1-c1cccc(S(=O)(=O)N(C)C)c1.Cl.
What is the InChIKey of 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is FZUOXZBMPNHHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2S.ClH/c1-14-20(15-7-6-9-17(11-15)31(29,30)27(2)3)28-21(25-14)18(12-19(22)26-28)24-13-16-8-4-5-10-23-16;/h4-12,24H,13H2,1-3H3;1H.
What are the key properties of 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride?
3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 493.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-methyl-8-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 134141075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).