N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide

C19H23ClN6O3S — CID 91758319

IUPACN-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12
InChIInChI=1S/C19H23ClN6O3S/c1-12-18(14-6-5-7-15(10-14)30(28,29)25(3)4)26-19(23-12)16(11-17(20)24-26)22-9-8-21-13(2)27/h5-7,10-11,22H,8-9H2,1-4H3,(H,21,27)
InChIKeyPSTAJIONBVMKLA-UHFFFAOYSA-N
MW450.95 g/mol
LogP2.16
Rot. Bonds7

About N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide

N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide (PubChem CID 91758319) has the molecular formula C19H23ClN6O3S and a molecular weight of 450.95 g/mol. Its IUPAC name is N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
PubChem CID91758319
Molecular FormulaC19H23ClN6O3S
Molecular Weight450.95 g/mol
Exact Mass450.12
IUPAC NameN-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12
InChIInChI=1S/C19H23ClN6O3S/c1-12-18(14-6-5-7-15(10-14)30(28,29)25(3)4)26-19(23-12)16(11-17(20)24-26)22-9-8-21-13(2)27/h5-7,10-11,22H,8-9H2,1-4H3,(H,21,27)
InChIKeyPSTAJIONBVMKLA-UHFFFAOYSA-N
XLogP2.16
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.95
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide (CID 91758319) is N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide is CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12.
What is the InChIKey of N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?
The InChIKey is PSTAJIONBVMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O3S/c1-12-18(14-6-5-7-15(10-14)30(28,29)25(3)4)26-19(23-12)16(11-17(20)24-26)22-9-8-21-13(2)27/h5-7,10-11,22H,8-9H2,1-4H3,(H,21,27).
What are the key properties of N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide?
N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide has a molecular weight of 450.95 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-chloro-3-[3-(dimethylsulfamoyl)phenyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]amino]ethyl]acetamide is sourced from PubChem (CID 91758319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).