2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

C26H21F3N6O2 — CID 123482485

IUPAC2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc5ncccc45)nn23)ccc1C(N)=O
InChIInChI=1S/C26H21F3N6O2/c1-15-12-16(7-8-17(15)24(30)36)21-14-33-25-20(32-11-9-26(27,28)29)13-23(34-35(21)25)37-22-6-2-5-19-18(22)4-3-10-31-19/h2-8,10,12-14,32H,9,11H2,1H3,(H2,30,36)
InChIKeyIHUBNJRSEXBDNG-UHFFFAOYSA-N
MW506.49 g/mol
LogP5.51
Rot. Bonds7

About 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide

2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 123482485) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID123482485
Molecular FormulaC26H21F3N6O2
Molecular Weight506.49 g/mol
Exact Mass506.17
IUPAC Name2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc5ncccc45)nn23)ccc1C(N)=O
InChIInChI=1S/C26H21F3N6O2/c1-15-12-16(7-8-17(15)24(30)36)21-14-33-25-20(32-11-9-26(27,28)29)13-23(34-35(21)25)37-22-6-2-5-19-18(22)4-3-10-31-19/h2-8,10,12-14,32H,9,11H2,1H3,(H2,30,36)
InChIKeyIHUBNJRSEXBDNG-UHFFFAOYSA-N
XLogP5.51
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.49
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Bay-1217389
CID 78320750
Triazolopyridazine, 10g
CID 24864994
Triazolopyridazine, 10h
CID 24864995
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-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide
CID 57386061
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]benzamide
CID 57441057
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]-3-(trifluoromethyl)benzamide
CID 57505528
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-fluorobenzamide
CID 57708543
N-[3-[2-(cyclohexanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708545
N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-3-(trifluoromethyl)benzamide
CID 59175570
3-fluoro-N-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]benzamide
CID 59175611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 123482485) is 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc5ncccc45)nn23)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is IHUBNJRSEXBDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c1-15-12-16(7-8-17(15)24(30)36)21-14-33-25-20(32-11-9-26(27,28)29)13-23(34-35(21)25)37-22-6-2-5-19-18(22)4-3-10-31-19/h2-8,10,12-14,32H,9,11H2,1H3,(H2,30,36).
What are the key properties of 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide?
2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 506.49 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-quinolin-5-yloxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 123482485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).