5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

C73H86FN23O3 — CID 157337418

IUPAC5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccncc5F)cc4O)nnc32)CC(C)(C)N1.CN(C)c1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1.Cn1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)cn1
InChIInChI=1S/C26H32N8O.C24H26FN7O.C23H28N8O/c1-25(2)14-18(15-26(3,4)31-25)34-24-21(29-32-34)13-20(28-30-24)19-8-7-16(11-22(19)35)17-9-10-27-23(12-17)33(5)6;1-23(2)11-15(12-24(3,4)30-23)32-22-20(28-31-32)10-19(27-29-22)17-6-5-14(9-21(17)33)16-7-8-26-13-18(16)25;1-22(2)10-16(11-23(3,4)28-22)31-21-19(26-29-31)9-18(25-27-21)17-7-6-14(8-20(17)32)15-12-24-30(5)13-15/h7-13,18,31,35H,14-15H2,1-6H3;5-10,13,15,30,33H,11-12H2,1-4H3;6-9,12-13,16,28,32H,10-11H2,1-5H3
InChIKeyBFZOSRQBLCLHMI-UHFFFAOYSA-N
MW1352.65 g/mol
LogP11.96
Rot. Bonds10

About 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (PubChem CID 157337418) has the molecular formula C73H86FN23O3 and a molecular weight of 1352.65 g/mol. Its IUPAC name is 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
PubChem CID157337418
Molecular FormulaC73H86FN23O3
Molecular Weight1352.65 g/mol
Exact Mass1351.73
IUPAC Name5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccncc5F)cc4O)nnc32)CC(C)(C)N1.CN(C)c1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1.Cn1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)cn1
InChIInChI=1S/C26H32N8O.C24H26FN7O.C23H28N8O/c1-25(2)14-18(15-26(3,4)31-25)34-24-21(29-32-34)13-20(28-30-24)19-8-7-16(11-22(19)35)17-9-10-27-23(12-17)33(5)6;1-23(2)11-15(12-24(3,4)30-23)32-22-20(28-31-32)10-19(27-29-22)17-6-5-14(9-21(17)33)16-7-8-26-13-18(16)25;1-22(2)10-16(11-23(3,4)28-22)31-21-19(26-29-31)9-18(25-27-21)17-7-6-14(8-20(17)32)15-12-24-30(5)13-15/h7-13,18,31,35H,14-15H2,1-6H3;5-10,13,15,30,33H,11-12H2,1-4H3;6-9,12-13,16,28,32H,10-11H2,1-5H3
InChIKeyBFZOSRQBLCLHMI-UHFFFAOYSA-N
XLogP11.96
TPSA313.09 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001352.65
LogP ≤ 511.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol with MolForge

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Related Compounds

5-(7-(4-((1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-2-fluorophenol
CID 46879449
1-((1S,4S)-5-(4-(3-(4-fluoro-3-hydroxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 46879450
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136
3-[7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880138
2-fluoro-5-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880217
2-fluoro-5-(7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880218
(R)-3-(2-(pyridin-4-yl)-7-(4-(quinuclidin-3-ylamino)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880074
2-[3-[(3S)-3-cyclopropylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(2-methyltriazolo[4,5-b]pyridin-6-yl)phenol
CID 156887473

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The IUPAC name of 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (CID 157337418) is 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.
What is the SMILES notation for 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The canonical SMILES for 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccncc5F)cc4O)nnc32)CC(C)(C)N1.CN(C)c1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1.Cn1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)cn1.
What is the InChIKey of 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The InChIKey is BFZOSRQBLCLHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O.C24H26FN7O.C23H28N8O/c1-25(2)14-18(15-26(3,4)31-25)34-24-21(29-32-34)13-20(28-30-24)19-8-7-16(11-22(19)35)17-9-10-27-23(12-17)33(5)6;1-23(2)11-15(12-24(3,4)30-23)32-22-20(28-31-32)10-19(27-29-22)17-6-5-14(9-21(17)33)16-7-8-26-13-18(16)25;1-22(2)10-16(11-23(3,4)28-22)31-21-19(26-29-31)9-18(25-27-21)17-7-6-14(8-20(17)32)15-12-24-30(5)13-15/h7-13,18,31,35H,14-15H2,1-6H3;5-10,13,15,30,33H,11-12H2,1-4H3;6-9,12-13,16,28,32H,10-11H2,1-5H3.
What are the key properties of 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol has a molecular weight of 1352.65 g/mol, XLogP of 11.96, 10 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)-4-pyridinyl]-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(3-fluoro-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 157337418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).