5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol

C27H32FN7O2 — CID 155287164

IUPAC5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
SMILESCCc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12
InChIInChI=1S/C27H32FN7O2/c1-7-16-10-19(33-35-14-15(2)30-25(16)35)17-11-20(36)23(29-13-17)18-8-9-22(32-31-18)37-21-12-26(3,4)34-27(5,6)24(21)28/h8-11,13-14,21,24,34,36H,7,12H2,1-6H3/t21-,24-/m0/s1
InChIKeyPHMMRFLYHRITGY-URXFXBBRSA-N
MW505.60 g/mol
LogP4.46
Rot. Bonds5

About 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol

5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol (PubChem CID 155287164) has the molecular formula C27H32FN7O2 and a molecular weight of 505.60 g/mol. Its IUPAC name is 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
PubChem CID155287164
Molecular FormulaC27H32FN7O2
Molecular Weight505.60 g/mol
Exact Mass505.26
IUPAC Name5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
SMILESCCc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12
InChIInChI=1S/C27H32FN7O2/c1-7-16-10-19(33-35-14-15(2)30-25(16)35)17-11-20(36)23(29-13-17)18-8-9-22(32-31-18)37-21-12-26(3,4)34-27(5,6)24(21)28/h8-11,13-14,21,24,34,36H,7,12H2,1-6H3/t21-,24-/m0/s1
InChIKeyPHMMRFLYHRITGY-URXFXBBRSA-N
XLogP4.46
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 24884826
(2R)-1-[5-methyl-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]pyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
CID 44449716
N-((6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45102733
N-((6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
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7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol (CID 155287164) is 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol is CCc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12.
What is the InChIKey of 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
The InChIKey is PHMMRFLYHRITGY-URXFXBBRSA-N. The full InChI is InChI=1S/C27H32FN7O2/c1-7-16-10-19(33-35-14-15(2)30-25(16)35)17-11-20(36)23(29-13-17)18-8-9-22(32-31-18)37-21-12-26(3,4)34-27(5,6)24(21)28/h8-11,13-14,21,24,34,36H,7,12H2,1-6H3/t21-,24-/m0/s1.
What are the key properties of 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol?
5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol has a molecular weight of 505.60 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).