4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide

C23H17FN6O — CID 141429627

IUPAC4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2)cc1-n1cc(-c2cnc3cccnn23)cn1
InChIInChI=1S/C23H17FN6O/c1-15-4-9-19(28-23(31)16-5-7-18(24)8-6-16)11-20(15)29-14-17(12-27-29)21-13-25-22-3-2-10-26-30(21)22/h2-14H,1H3,(H,28,31)
InChIKeyGKLDJIUKRHJMHG-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.28
Rot. Bonds4

About 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide

4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide (PubChem CID 141429627) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
PubChem CID141429627
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(F)cc2)cc1-n1cc(-c2cnc3cccnn23)cn1
InChIInChI=1S/C23H17FN6O/c1-15-4-9-19(28-23(31)16-5-7-18(24)8-6-16)11-20(15)29-14-17(12-27-29)21-13-25-22-3-2-10-26-30(21)22/h2-14H,1H3,(H,28,31)
InChIKeyGKLDJIUKRHJMHG-UHFFFAOYSA-N
XLogP4.28
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]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
Capmatinib
CID 25145656
Selonsertib
CID 71245288
Ponatinib Hydrochloride
CID 46908927
Pimitespib
CID 67501411
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
[3-Cyano-5-[[[2,4-dimethyl-5-[6-(3-pyridinyl)-1H-imidazo[1,2-b]pyrazol-1-yl]phenyl]amino]carbonyl]phenyl]pentafluorosulfur
CID 71623052
N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3113005
Bezuclastinib
CID 75593308
Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl)-
CID 24826880
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide (CID 141429627) is 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccc(F)cc2)cc1-n1cc(-c2cnc3cccnn23)cn1.
What is the InChIKey of 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
The InChIKey is GKLDJIUKRHJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c1-15-4-9-19(28-23(31)16-5-7-18(24)8-6-16)11-20(15)29-14-17(12-27-29)21-13-25-22-3-2-10-26-30(21)22/h2-14H,1H3,(H,28,31).
What are the key properties of 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide?
4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide has a molecular weight of 412.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-imidazo[1,2-b]pyridazin-3-ylpyrazol-1-yl)-4-methylphenyl]benzamide is sourced from PubChem (CID 141429627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).