3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide

C21H16N4O2 — CID 126672914

IUPAC3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccc(C(N)=O)c4)nn23)c1
InChIInChI=1S/C21H16N4O2/c1-13(26)14-4-2-6-16(10-14)19-12-23-20-9-8-18(24-25(19)20)15-5-3-7-17(11-15)21(22)27/h2-12H,1H3,(H2,22,27)
InChIKeyBKBVALZHATWTNB-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.36
Rot. Bonds4

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

3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 126672914) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound Name3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID126672914
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cccc(C(N)=O)c4)nn23)c1
InChIInChI=1S/C21H16N4O2/c1-13(26)14-4-2-6-16(10-14)19-12-23-20-9-8-18(24-25(19)20)15-5-3-7-17(11-15)21(22)27/h2-12H,1H3,(H2,22,27)
InChIKeyBKBVALZHATWTNB-UHFFFAOYSA-N
XLogP3.36
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ponatinib
CID 24826799
Bay-1125976
CID 70817911
Ponatinib Hydrochloride
CID 46908927
Pimitespib
CID 67501411
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl)-
CID 24826880
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
Imidazopyridazin 1
CID 5459373
7-(2-(1H-Imidazol-1-yl)-5-methylimidazo(1,5-b)pyridazin-7-yl)-1-phenyl-1-heptanone
CID 189892
4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
7-(5-Methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455577

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 126672914) is 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is CC(=O)c1cccc(-c2cnc3ccc(-c4cccc(C(N)=O)c4)nn23)c1.
What is the InChIKey of 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is BKBVALZHATWTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-13(26)14-4-2-6-16(10-14)19-12-23-20-9-8-18(24-25(19)20)15-5-3-7-17(11-15)21(22)27/h2-12H,1H3,(H2,22,27).
What are the key properties of 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 356.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-acetylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 126672914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).