N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C25H18F3N7O2 — CID 58243200

IUPACN-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1nccc(Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)n1
InChIInChI=1S/C25H18F3N7O2/c1-15-29-11-10-20(30-15)32-21-14-35-22(33-21)8-9-23(34-35)37-19-7-3-6-18(13-19)31-24(36)16-4-2-5-17(12-16)25(26,27)28/h2-14H,1H3,(H,31,36)(H,29,30,32)
InChIKeyZPXXKRVSCPSABB-UHFFFAOYSA-N
MW505.46 g/mol
LogP5.63
Rot. Bonds6

About N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 58243200) has the molecular formula C25H18F3N7O2 and a molecular weight of 505.46 g/mol. Its IUPAC name is N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID58243200
Molecular FormulaC25H18F3N7O2
Molecular Weight505.46 g/mol
Exact Mass505.15
IUPAC NameN-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1nccc(Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)n1
InChIInChI=1S/C25H18F3N7O2/c1-15-29-11-10-20(30-15)32-21-14-35-22(33-21)8-9-23(34-35)37-19-7-3-6-18(13-19)31-24(36)16-4-2-5-17(12-16)25(26,27)28/h2-14H,1H3,(H,31,36)(H,29,30,32)
InChIKeyZPXXKRVSCPSABB-UHFFFAOYSA-N
XLogP5.63
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.46
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)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

Tak-593
CID 24767976
Bay-1217389
CID 78320750
N-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-B]pyridazin-6-Yl}oxy)phenyl]-1,3-Dimethyl-1h-Pyrazole-5-Carboxamide
CID 57505507
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 24767979
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
n-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,5-dimethyl-1h-pyrazole-3-carboxamide
CID 57505514
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
4-(3-(8-(5,6-Dimethoxypyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzamido)benzoic acid
CID 71457142
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
N-cyclopropyl-4-[5-(3-fluorophenoxy)-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
CID 118452766

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 58243200) is N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is Cc1nccc(Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)n1.
What is the InChIKey of N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZPXXKRVSCPSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N7O2/c1-15-29-11-10-20(30-15)32-21-14-35-22(33-21)8-9-23(34-35)37-19-7-3-6-18(13-19)31-24(36)16-4-2-5-17(12-16)25(26,27)28/h2-14H,1H3,(H,31,36)(H,29,30,32).
What are the key properties of N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 505.46 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58243200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).