3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide

C20H18N6O3S — CID 126473439

IUPAC3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)c1
InChIInChI=1S/C20H18N6O3S/c21-20(27)15-3-1-2-14(10-15)17-12-24-19-9-8-18(25-26(17)19)23-11-13-4-6-16(7-5-13)30(22,28)29/h1-10,12H,11H2,(H2,21,27)(H,23,25)(H2,22,28,29)
InChIKeyFLUTUCNYFRVCCA-UHFFFAOYSA-N
MW422.47 g/mol
LogP1.75
Rot. Bonds6

About 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide

3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 126473439) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID126473439
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC Name3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)c1
InChIInChI=1S/C20H18N6O3S/c21-20(27)15-3-1-2-14(10-15)17-12-24-19-9-8-18(25-26(17)19)23-11-13-4-6-16(7-5-13)30(22,28)29/h1-10,12H,11H2,(H2,21,27)(H,23,25)(H2,22,28,29)
InChIKeyFLUTUCNYFRVCCA-UHFFFAOYSA-N
XLogP1.75
TPSA145.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
4-[[[3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 58857834
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475815
3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 126471896
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696
3-(3-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470424
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180
N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475886
3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 126473439) is 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide is NC(=O)c1cccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)c1.
What is the InChIKey of 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is FLUTUCNYFRVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c21-20(27)15-3-1-2-14(10-15)17-12-24-19-9-8-18(25-26(17)19)23-11-13-4-6-16(7-5-13)30(22,28)29/h1-10,12H,11H2,(H2,21,27)(H,23,25)(H2,22,28,29).
What are the key properties of 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide?
3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 422.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-sulfamoylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 126473439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).