2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol

C62H76FN21O5 — CID 165011903

IUPAC2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol
SMILESCC1(C)CC(Oc2ccc(-c3ncc(-n4nccn4)cc3O)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ncc(-n4nccn4)cc3O)nn2)CC2(CC2)N1.[2H]C([2H])([2H])n1cc(-c2cnc(-c3ccc(N[C@@H]4CC(C)(C)NC(C)(C)[C@@H]4F)nn3)c(O)c2)cn1
InChIInChI=1S/C22H28FN7O.C20H23N7O2.C20H25N7O2/c1-21(2)9-16(20(23)22(3,4)29-21)26-18-7-6-15(27-28-18)19-17(31)8-13(10-24-19)14-11-25-30(5)12-14;1-19(2)10-14(11-20(26-19)5-6-20)29-17-4-3-15(24-25-17)18-16(28)9-13(12-21-18)27-22-7-8-23-27;1-19(2)10-14(11-20(3,4)26-19)29-17-6-5-15(24-25-17)18-16(28)9-13(12-21-18)27-22-7-8-23-27/h6-8,10-12,16,20,29,31H,9H2,1-5H3,(H,26,28);3-4,7-9,12,14,26,28H,5-6,10-11H2,1-2H3;5-9,12,14,26,28H,10-11H2,1-4H3/t16-,20-;;/m1../s1/i5D3;;
InChIKeyJVHBUSHPBDZVAE-YNBGATGRSA-N
MW1217.45 g/mol
LogP8.09
Rot. Bonds13

About 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol

2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol (PubChem CID 165011903) has the molecular formula C62H76FN21O5 and a molecular weight of 1217.45 g/mol. Its IUPAC name is 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol
PubChem CID165011903
Molecular FormulaC62H76FN21O5
Molecular Weight1217.45 g/mol
Exact Mass1216.65
IUPAC Name2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol
SMILESCC1(C)CC(Oc2ccc(-c3ncc(-n4nccn4)cc3O)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ncc(-n4nccn4)cc3O)nn2)CC2(CC2)N1.[2H]C([2H])([2H])n1cc(-c2cnc(-c3ccc(N[C@@H]4CC(C)(C)NC(C)(C)[C@@H]4F)nn3)c(O)c2)cn1
InChIInChI=1S/C22H28FN7O.C20H23N7O2.C20H25N7O2/c1-21(2)9-16(20(23)22(3,4)29-21)26-18-7-6-15(27-28-18)19-17(31)8-13(10-24-19)14-11-25-30(5)12-14;1-19(2)10-14(11-20(26-19)5-6-20)29-17-4-3-15(24-25-17)18-16(28)9-13(12-21-18)27-22-7-8-23-27;1-19(2)10-14(11-20(3,4)26-19)29-17-6-5-15(24-25-17)18-16(28)9-13(12-21-18)27-22-7-8-23-27/h6-8,10-12,16,20,29,31H,9H2,1-5H3,(H,26,28);3-4,7-9,12,14,26,28H,5-6,10-11H2,1-2H3;5-9,12,14,26,28H,10-11H2,1-4H3/t16-,20-;;/m1../s1/i5D3;;
InChIKeyJVHBUSHPBDZVAE-YNBGATGRSA-N
XLogP8.09
TPSA322.52 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001217.45
LogP ≤ 58.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol with MolForge

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Related Compounds

7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-8-[6-(1-methylpyrazol-4-yl)-3-[[[7-(2,2,2-trifluoroethoxy)-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-7-(2-pyrazol-1-ylethoxy)-1,5-naphthyridin-4-amine
CID 143835140
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
CID 155287117
2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
CID 155287133
5-(8-ethyl-2-methylimidazo[1,2-b]pyridazin-6-yl)-2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol
CID 155287147
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
2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
CID 155287198
2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazo[1,2-b]pyridazin-6-ylpyridin-3-ol
CID 155287257
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
CID 155287258
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-ol
CID 155287260
N-(3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl)-6-[3-methoxy-5-[1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]pyridazin-3-amine
CID 155287368
2-[6-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-2-yl)pyridin-3-ol
CID 155287534

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol (CID 165011903) is 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol is CC1(C)CC(Oc2ccc(-c3ncc(-n4nccn4)cc3O)nn2)CC(C)(C)N1.CC1(C)CC(Oc2ccc(-c3ncc(-n4nccn4)cc3O)nn2)CC2(CC2)N1.[2H]C([2H])([2H])n1cc(-c2cnc(-c3ccc(N[C@@H]4CC(C)(C)NC(C)(C)[C@@H]4F)nn3)c(O)c2)cn1.
What is the InChIKey of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol?
The InChIKey is JVHBUSHPBDZVAE-YNBGATGRSA-N. The full InChI is InChI=1S/C22H28FN7O.C20H23N7O2.C20H25N7O2/c1-21(2)9-16(20(23)22(3,4)29-21)26-18-7-6-15(27-28-18)19-17(31)8-13(10-24-19)14-11-25-30(5)12-14;1-19(2)10-14(11-20(26-19)5-6-20)29-17-4-3-15(24-25-17)18-16(28)9-13(12-21-18)27-22-7-8-23-27;1-19(2)10-14(11-20(3,4)26-19)29-17-6-5-15(24-25-17)18-16(28)9-13(12-21-18)27-22-7-8-23-27/h6-8,10-12,16,20,29,31H,9H2,1-5H3,(H,26,28);3-4,7-9,12,14,26,28H,5-6,10-11H2,1-2H3;5-9,12,14,26,28H,10-11H2,1-4H3/t16-,20-;;/m1../s1/i5D3;;.
What are the key properties of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol?
2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol has a molecular weight of 1217.45 g/mol, XLogP of 8.09, 13 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)oxy]pyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol;2-[6-[[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]pyridazin-3-yl]-5-[1-(trideuteriomethyl)pyrazol-4-yl]pyridin-3-ol;2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-5-(triazol-2-yl)pyridin-3-ol is sourced from PubChem (CID 165011903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).