5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

C71H82F2N20O6 — CID 164985310

IUPAC5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCC1(C)C[C@H](Oc2ccc(-c3ncc(-c4ccc5nccn5n4)cc3O)nn2)[C@H](F)C(C)(C)N1.CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)[C@H](F)C(C)(C)N1.Cc1cn2nc(-c3cnc(-c4ccc(OC5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(C)c2n1
InChIInChI=1S/C26H31N7O2.C24H26FN7O2.C21H25FN6O2/c1-15-9-20(31-33-14-16(2)28-24(15)33)17-10-21(34)23(27-13-17)19-7-8-22(30-29-19)35-18-11-25(3,4)32-26(5,6)12-18;1-23(2)12-18(22(25)24(3,4)31-23)34-20-8-6-16(28-29-20)21-17(33)11-14(13-27-21)15-5-7-19-26-9-10-32(19)30-15;1-20(2)8-16(19(22)21(3,4)28-20)30-17-6-5-14(26-27-17)18-15(29)7-12(9-23-18)13-10-24-25-11-13/h7-10,13-14,18,32,34H,11-12H2,1-6H3;5-11,13,18,22,31,33H,12H2,1-4H3;5-7,9-11,16,19,28-29H,8H2,1-4H3,(H,24,25)/t;18-,22-;16-,19-/m.00/s1
InChIKeyGBOPXOROUBEKDO-KIKIGTNRSA-N
MW1349.57 g/mol
LogP11.12
Rot. Bonds12

About 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (PubChem CID 164985310) has the molecular formula C71H82F2N20O6 and a molecular weight of 1349.57 g/mol. Its IUPAC name is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
PubChem CID164985310
Molecular FormulaC71H82F2N20O6
Molecular Weight1349.57 g/mol
Exact Mass1348.67
IUPAC Name5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
SMILESCC1(C)C[C@H](Oc2ccc(-c3ncc(-c4ccc5nccn5n4)cc3O)nn2)[C@H](F)C(C)(C)N1.CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)[C@H](F)C(C)(C)N1.Cc1cn2nc(-c3cnc(-c4ccc(OC5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(C)c2n1
InChIInChI=1S/C26H31N7O2.C24H26FN7O2.C21H25FN6O2/c1-15-9-20(31-33-14-16(2)28-24(15)33)17-10-21(34)23(27-13-17)19-7-8-22(30-29-19)35-18-11-25(3,4)32-26(5,6)12-18;1-23(2)12-18(22(25)24(3,4)31-23)34-20-8-6-16(28-29-20)21-17(33)11-14(13-27-21)15-5-7-19-26-9-10-32(19)30-15;1-20(2)8-16(19(22)21(3,4)28-20)30-17-6-5-14(26-27-17)18-15(29)7-12(9-23-18)13-10-24-25-11-13/h7-10,13-14,18,32,34H,11-12H2,1-6H3;5-11,13,18,22,31,33H,12H2,1-4H3;5-7,9-11,16,19,28-29H,8H2,1-4H3,(H,24,25)/t;18-,22-;16-,19-/m.00/s1
InChIKeyGBOPXOROUBEKDO-KIKIGTNRSA-N
XLogP11.12
TPSA329.54 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001349.57
LogP ≤ 511.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

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

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Related Compounds

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691188
2-[[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 137054927
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137143002
3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137038732
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
US10544143, Example 107
CID 138686226
US10544143, Example 104
CID 138686270
US10544143, Example 666
CID 138686498
US10544143, Example 600
CID 138686805
US10544143, Example 598
CID 138687007
7-methoxy-6-(1H-pyrazol-4-yl)-3-(6-pyrrolidin-3-yloxy-2-pyridinyl)imidazo[1,2-a]pyridine
CID 134284293

Frequently Asked Questions

What is the IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The IUPAC name of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (CID 164985310) is 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.
What is the SMILES notation for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The canonical SMILES for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4ccc5nccn5n4)cc3O)nn2)[C@H](F)C(C)(C)N1.CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)[C@H](F)C(C)(C)N1.Cc1cn2nc(-c3cnc(-c4ccc(OC5CC(C)(C)NC(C)(C)C5)nn4)c(O)c3)cc(C)c2n1.
What is the InChIKey of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
The InChIKey is GBOPXOROUBEKDO-KIKIGTNRSA-N. The full InChI is InChI=1S/C26H31N7O2.C24H26FN7O2.C21H25FN6O2/c1-15-9-20(31-33-14-16(2)28-24(15)33)17-10-21(34)23(27-13-17)19-7-8-22(30-29-19)35-18-11-25(3,4)32-26(5,6)12-18;1-23(2)12-18(22(25)24(3,4)31-23)34-20-8-6-16(28-29-20)21-17(33)11-14(13-27-21)15-5-7-19-26-9-10-32(19)30-15;1-20(2)8-16(19(22)21(3,4)28-20)30-17-6-5-14(26-27-17)18-15(29)7-12(9-23-18)13-10-24-25-11-13/h7-10,13-14,18,32,34H,11-12H2,1-6H3;5-11,13,18,22,31,33H,12H2,1-4H3;5-7,9-11,16,19,28-29H,8H2,1-4H3,(H,24,25)/t;18-,22-;16-,19-/m.00/s1.
What are the key properties of 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?
5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol has a molecular weight of 1349.57 g/mol, XLogP of 11.12, 12 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[6-(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-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 164985310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).