5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol

C78H86F6N20O6 — CID 165102508

IUPAC5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol
SMILESCc1cn2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C(F)(F)F)c2n1.Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C)c2n1.Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc2n1
InChIInChI=1S/C27H28F4N6O2.C26H30FN7O2.C25H28FN7O2/c1-14-12-37-13-16(8-17(24(37)33-14)27(29,30)31)15-9-19(38)22(32-11-15)18-6-7-21(35-34-18)39-20-10-25(2,3)36-26(4,5)23(20)28;1-14-9-18(32-34-13-15(2)29-24(14)34)16-10-19(35)22(28-12-16)17-7-8-21(31-30-17)36-20-11-25(3,4)33-26(5,6)23(20)27;1-14-13-33-20(28-14)8-6-16(31-33)15-10-18(34)22(27-12-15)17-7-9-21(30-29-17)35-19-11-24(2,3)32-25(4,5)23(19)26/h6-9,11-13,20,23,36,38H,10H2,1-5H3;7-10,12-13,20,23,33,35H,11H2,1-6H3;6-10,12-13,19,23,32,34H,11H2,1-5H3/t2*20-,23-;19-,23-/m000/s1
InChIKeyYOPRXPASKAETBX-DSUOJYQPSA-N
MW1513.67 g/mol
LogP13.63
Rot. Bonds12

About 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol

5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol (PubChem CID 165102508) has the molecular formula C78H86F6N20O6 and a molecular weight of 1513.67 g/mol. Its IUPAC name is 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol
PubChem CID165102508
Molecular FormulaC78H86F6N20O6
Molecular Weight1513.67 g/mol
Exact Mass1512.69
IUPAC Name5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol
SMILESCc1cn2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C(F)(F)F)c2n1.Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C)c2n1.Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc2n1
InChIInChI=1S/C27H28F4N6O2.C26H30FN7O2.C25H28FN7O2/c1-14-12-37-13-16(8-17(24(37)33-14)27(29,30)31)15-9-19(38)22(32-11-15)18-6-7-21(35-34-18)39-20-10-25(2,3)36-26(4,5)23(20)28;1-14-9-18(32-34-13-15(2)29-24(14)34)16-10-19(35)22(28-12-16)17-7-8-21(31-30-17)36-20-11-25(3,4)33-26(5,6)23(20)27;1-14-13-33-20(28-14)8-6-16(31-33)15-10-18(34)22(27-12-15)17-7-9-21(30-29-17)35-19-11-24(2,3)32-25(4,5)23(19)26/h6-9,11-13,20,23,36,38H,10H2,1-5H3;7-10,12-13,20,23,33,35H,11H2,1-6H3;6-10,12-13,19,23,32,34H,11H2,1-5H3/t2*20-,23-;19-,23-/m000/s1
InChIKeyYOPRXPASKAETBX-DSUOJYQPSA-N
XLogP13.63
TPSA318.16 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001513.67
LogP ≤ 513.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol with MolForge

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Related Compounds

7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-2-ethyl-N-(2-methoxyethyl)-1,5-naphthyridin-4-amine
CID 156304012
7-[5-[(6-Ethyl-8-morpholin-4-yl-1,5-naphthyridin-3-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304073
(2R,3R,4S,5R)-2-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-[[6-ethyl-8-(2-methoxyethylamino)-1,5-naphthyridin-3-yl]oxymethyl]oxolane-3,4-diol
CID 164570051
US20230399342, Example 27
CID 170433480
US20230399342, Example 26
CID 170433779
US10544143, Example 600
CID 138686805
US10544143, Example 607
CID 138686310
US10544143, Example 597
CID 138686427
US10544143, Example 659
CID 138686461
US10544143, Example 613
CID 138686660
US10544143, Example 603
CID 138686820
US10544143, Example 591
CID 138686822

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol?
The IUPAC name of 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol (CID 165102508) is 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol is Cc1cn2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C(F)(F)F)c2n1.Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C)c2n1.Cc1cn2nc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc2n1.
What is the InChIKey of 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol?
The InChIKey is YOPRXPASKAETBX-DSUOJYQPSA-N. The full InChI is InChI=1S/C27H28F4N6O2.C26H30FN7O2.C25H28FN7O2/c1-14-12-37-13-16(8-17(24(37)33-14)27(29,30)31)15-9-19(38)22(32-11-15)18-6-7-21(35-34-18)39-20-10-25(2,3)36-26(4,5)23(20)28;1-14-9-18(32-34-13-15(2)29-24(14)34)16-10-19(35)22(28-12-16)17-7-8-21(31-30-17)36-20-11-25(3,4)33-26(5,6)23(20)27;1-14-13-33-20(28-14)8-6-16(31-33)15-10-18(34)22(27-12-15)17-7-9-21(30-29-17)35-19-11-24(2,3)32-25(4,5)23(19)26/h6-9,11-13,20,23,36,38H,10H2,1-5H3;7-10,12-13,20,23,33,35H,11H2,1-6H3;6-10,12-13,19,23,32,34H,11H2,1-5H3/t2*20-,23-;19-,23-/m000/s1.
What are the key properties of 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol?
5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol has a molecular weight of 1513.67 g/mol, XLogP of 13.63, 12 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-dimethylimidazo[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;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-3-ol is sourced from PubChem (CID 165102508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).