N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C26H25F4N5O3 — CID 90030254

IUPACN-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC)cc4F)nn23)cc1C
InChIInChI=1S/C26H25F4N5O3/c1-4-31-25(36)18-7-5-16(11-15(18)2)21-14-33-24-20(32-10-9-26(28,29)30)13-23(34-35(21)24)38-22-8-6-17(37-3)12-19(22)27/h5-8,11-14,32H,4,9-10H2,1-3H3,(H,31,36)
InChIKeyFUIKSWQDCJPDCE-UHFFFAOYSA-N
MW531.51 g/mol
LogP5.76
Rot. Bonds9

About N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 90030254) has the molecular formula C26H25F4N5O3 and a molecular weight of 531.51 g/mol. Its IUPAC name is N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
PubChem CID90030254
Molecular FormulaC26H25F4N5O3
Molecular Weight531.51 g/mol
Exact Mass531.19
IUPAC NameN-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC)cc4F)nn23)cc1C
InChIInChI=1S/C26H25F4N5O3/c1-4-31-25(36)18-7-5-16(11-15(18)2)21-14-33-24-20(32-10-9-26(28,29)30)13-23(34-35(21)24)38-22-8-6-17(37-3)12-19(22)27/h5-8,11-14,32H,4,9-10H2,1-3H3,(H,31,36)
InChIKeyFUIKSWQDCJPDCE-UHFFFAOYSA-N
XLogP5.76
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.51
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide 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

N-ethyl-4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66695673
N-ethyl-4-[6-(3-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 70817887
4-[8-(2,2-difluoroethylamino)-6-(2-fluoro-4-methoxyphenoxy)imidazo[1,2-b]pyridazin-3-yl]-N,2-dimethylbenzamide
CID 87111766
N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 78320750
4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66695684
N-cyclopropyl-4-[6-(3-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691054
2-azabicyclo[1.1.0]butan-2-yl-[2-methyl-4-[6-(4-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanone
CID 123208202
N-cyclopropyl-4-[6-(3-fluoro-4-methoxyanilino)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 56929379
4-[6-(3,4-difluorophenoxy)-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 123191087
4-[6-(3-fluoro-4-hydroxyphenoxy)-8-(2-hydroxyethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 123730868
4-[6-(4-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoic acid;1-[4-[6-(4-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]-2-cyclopropylethanone
CID 161208592
4-[6-(3-fluoro-4-methoxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118650860

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 90030254) is N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is CCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC)cc4F)nn23)cc1C.
What is the InChIKey of N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is FUIKSWQDCJPDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N5O3/c1-4-31-25(36)18-7-5-16(11-15(18)2)21-14-33-24-20(32-10-9-26(28,29)30)13-23(34-35(21)24)38-22-8-6-17(37-3)12-19(22)27/h5-8,11-14,32H,4,9-10H2,1-3H3,(H,31,36).
What are the key properties of N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 531.51 g/mol, XLogP of 5.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[6-(2-fluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 90030254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).