1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone

C19H18BrN3O3S — CID 157101452

IUPAC1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone
SMILESCc1cc(-c2cnc3c(S(C)(=O)=O)cc(Br)nn23)ccc1C(=O)CC1CC1
InChIInChI=1S/C19H18BrN3O3S/c1-11-7-13(5-6-14(11)16(24)8-12-3-4-12)15-10-21-19-17(27(2,25)26)9-18(20)22-23(15)19/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKeyLIVJTICGHGEKGO-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.85
Rot. Bonds5

About 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone

1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone (PubChem CID 157101452) has the molecular formula C19H18BrN3O3S and a molecular weight of 448.34 g/mol. Its IUPAC name is 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone
PubChem CID157101452
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC Name1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone
SMILESCc1cc(-c2cnc3c(S(C)(=O)=O)cc(Br)nn23)ccc1C(=O)CC1CC1
InChIInChI=1S/C19H18BrN3O3S/c1-11-7-13(5-6-14(11)16(24)8-12-3-4-12)15-10-21-19-17(27(2,25)26)9-18(20)22-23(15)19/h5-7,9-10,12H,3-4,8H2,1-2H3
InChIKeyLIVJTICGHGEKGO-UHFFFAOYSA-N
XLogP3.85
TPSA81.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone with MolForge

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Related Compounds

3-[3-(4-Methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
CID 90670280
4-[6-(3-Methylsulfinylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 118720966
4-[6-(3-Cyclopropylsulfonylphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 118720971
US11078204, Ex. No. 8
CID 146544869
1-[4-[6-Bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone
CID 157574369
1-(2-Bromo-4-methylsulfonylphenyl)-2-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]ethanone
CID 58236479
N-cyclopropyl-4-{8-[(2-hydroxy-2-methylpropyl)amino]-6-(methylsulfonyl) imidazo[1,2-b]pyridazin-3-yl}-2-methylbenzamide
CID 66691627
2-Cyclopropyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66693426
N-cyclopropyl-2-methyl-4-[8-(2-methylpropylamino)-6-methylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 66693997
N-cyclopropyl-4-{8-[(2-methylpropyl)amino]-6-(methylsulfonyl)imidazo[1,2-b]pyridazin-3-yl}benzamide
CID 66695610
N-cyclopropyl-2-methyl-4-{8-[(2-methylpropyl)amino]-6-(phenylsulfonyl) imidazo[1,2-b]pyridazin-3-yl}benzamide
CID 66695632
4-[8-[(1,1-Dioxothian-4-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66695647

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone?
The IUPAC name of 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone (CID 157101452) is 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone?
The canonical SMILES for 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone is Cc1cc(-c2cnc3c(S(C)(=O)=O)cc(Br)nn23)ccc1C(=O)CC1CC1.
What is the InChIKey of 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone?
The InChIKey is LIVJTICGHGEKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c1-11-7-13(5-6-14(11)16(24)8-12-3-4-12)15-10-21-19-17(27(2,25)26)9-18(20)22-23(15)19/h5-7,9-10,12H,3-4,8H2,1-2H3.
What are the key properties of 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone?
1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone has a molecular weight of 448.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-bromo-8-methylsulfonylimidazo[1,2-b]pyridazin-3-yl)-2-methylphenyl]-2-cyclopropylethanone is sourced from PubChem (CID 157101452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).