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-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile

C80H88F4N20O6 — CID 165051695

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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESCCc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12.Cc1cn2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1.Cn1cc2c(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc(F)c2n1
InChIInChI=1S/C27H28FN7O2.C27H32FN7O2.C26H28F2N6O2/c1-15-13-35-14-18(8-16(11-29)25(35)31-15)17-9-20(36)23(30-12-17)19-6-7-22(33-32-19)37-21-10-26(2,3)34-27(4,5)24(21)28;1-7-16-10-19(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;1-25(2)11-20(24(28)26(3,4)33-25)36-21-9-8-18(30-31-21)23-19(35)10-14(12-29-23)15-6-7-17(27)22-16(15)13-34(5)32-22/h6-9,12-14,21,24,34,36H,10H2,1-5H3;8-11,13-14,21,24,34,36H,7,12H2,1-6H3;6-10,12-13,20,24,33,35H,11H2,1-5H3/t2*21-,24-;20-,24-/m000/s1
InChIKeyPTMBLASIJVFGRI-PTKZFVMBSA-N
MW1501.71 g/mol
LogP13.41
Rot. Bonds13

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-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile

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-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 165051695) has the molecular formula C80H88F4N20O6 and a molecular weight of 1501.71 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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile.

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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID165051695
Molecular FormulaC80H88F4N20O6
Molecular Weight1501.71 g/mol
Exact Mass1500.71
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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESCCc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12.Cc1cn2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1.Cn1cc2c(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc(F)c2n1
InChIInChI=1S/C27H28FN7O2.C27H32FN7O2.C26H28F2N6O2/c1-15-13-35-14-18(8-16(11-29)25(35)31-15)17-9-20(36)23(30-12-17)19-6-7-22(33-32-19)37-21-10-26(2,3)34-27(4,5)24(21)28;1-7-16-10-19(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;1-25(2)11-20(24(28)26(3,4)33-25)36-21-9-8-18(30-31-21)23-19(35)10-14(12-29-23)15-6-7-17(27)22-16(15)13-34(5)32-22/h6-9,12-14,21,24,34,36H,10H2,1-5H3;8-11,13-14,21,24,34,36H,7,12H2,1-6H3;6-10,12-13,20,24,33,35H,11H2,1-5H3/t2*21-,24-;20-,24-/m000/s1
InChIKeyPTMBLASIJVFGRI-PTKZFVMBSA-N
XLogP13.41
TPSA329.58 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001501.71
LogP ≤ 513.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile with MolForge

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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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?
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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile (CID 165051695) 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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile.
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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?
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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile is CCc1cc(-c2cnc(-c3ccc(O[C@H]4CC(C)(C)NC(C)(C)[C@H]4F)nn3)c(O)c2)nn2cc(C)nc12.Cc1cn2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1.Cn1cc2c(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)ccc(F)c2n1.
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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is PTMBLASIJVFGRI-PTKZFVMBSA-N. The full InChI is InChI=1S/C27H28FN7O2.C27H32FN7O2.C26H28F2N6O2/c1-15-13-35-14-18(8-16(11-29)25(35)31-15)17-9-20(36)23(30-12-17)19-6-7-22(33-32-19)37-21-10-26(2,3)34-27(4,5)24(21)28;1-7-16-10-19(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;1-25(2)11-20(24(28)26(3,4)33-25)36-21-9-8-18(30-31-21)23-19(35)10-14(12-29-23)15-6-7-17(27)22-16(15)13-34(5)32-22/h6-9,12-14,21,24,34,36H,10H2,1-5H3;8-11,13-14,21,24,34,36H,7,12H2,1-6H3;6-10,12-13,20,24,33,35H,11H2,1-5H3/t2*21-,24-;20-,24-/m000/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-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?
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-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 1501.71 g/mol, XLogP of 13.41, 13 rotatable bonds, 6 hydrogen bond donors, and 26 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;5-(7-fluoro-2-methylindazol-4-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;6-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 165051695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).