5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol

C73H81F3N22O3 — CID 158056631

IUPAC5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccnc(C(F)(F)F)c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccncn5)cc4O)nnc32)CC(C)(C)N1.Cc1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1
InChIInChI=1S/C25H26F3N7O.C25H29N7O.C23H26N8O/c1-23(2)12-16(13-24(3,4)33-23)35-22-19(31-34-35)11-18(30-32-22)17-6-5-14(9-20(17)36)15-7-8-29-21(10-15)25(26,27)28;1-15-10-17(8-9-26-15)16-6-7-19(22(33)11-16)20-12-21-23(29-27-20)32(31-28-21)18-13-24(2,3)30-25(4,5)14-18;1-22(2)11-15(12-23(3,4)29-22)31-21-19(27-30-31)10-18(26-28-21)16-6-5-14(9-20(16)32)17-7-8-24-13-25-17/h5-11,16,33,36H,12-13H2,1-4H3;6-12,18,30,33H,13-14H2,1-5H3;5-10,13,15,29,32H,11-12H2,1-4H3
InChIKeyFKDCAHKZXYUDFH-UHFFFAOYSA-N
MW1371.60 g/mol
LogP13.14
Rot. Bonds9

About 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol

5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol (PubChem CID 158056631) has the molecular formula C73H81F3N22O3 and a molecular weight of 1371.60 g/mol. Its IUPAC name is 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol.

Molecular Properties

Compound Name5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol
PubChem CID158056631
Molecular FormulaC73H81F3N22O3
Molecular Weight1371.60 g/mol
Exact Mass1370.68
IUPAC Name5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccnc(C(F)(F)F)c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccncn5)cc4O)nnc32)CC(C)(C)N1.Cc1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1
InChIInChI=1S/C25H26F3N7O.C25H29N7O.C23H26N8O/c1-23(2)12-16(13-24(3,4)33-23)35-22-19(31-34-35)11-18(30-32-22)17-6-5-14(9-20(17)36)15-7-8-29-21(10-15)25(26,27)28;1-15-10-17(8-9-26-15)16-6-7-19(22(33)11-16)20-12-21-23(29-27-20)32(31-28-21)18-13-24(2,3)30-25(4,5)14-18;1-22(2)11-15(12-23(3,4)29-22)31-21-19(27-30-31)10-18(26-28-21)16-6-5-14(9-20(16)32)17-7-8-24-13-25-17/h5-11,16,33,36H,12-13H2,1-4H3;6-12,18,30,33H,13-14H2,1-5H3;5-10,13,15,29,32H,11-12H2,1-4H3
InChIKeyFKDCAHKZXYUDFH-UHFFFAOYSA-N
XLogP13.14
TPSA317.81 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001371.60
LogP ≤ 513.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]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
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
2-[3-(3-Ethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887659

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol?
The IUPAC name of 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol (CID 158056631) is 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol.
What is the SMILES notation for 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol?
The canonical SMILES for 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccnc(C(F)(F)F)c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccncn5)cc4O)nnc32)CC(C)(C)N1.Cc1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1.
What is the InChIKey of 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol?
The InChIKey is FKDCAHKZXYUDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O.C25H29N7O.C23H26N8O/c1-23(2)12-16(13-24(3,4)33-23)35-22-19(31-34-35)11-18(30-32-22)17-6-5-14(9-20(17)36)15-7-8-29-21(10-15)25(26,27)28;1-15-10-17(8-9-26-15)16-6-7-19(22(33)11-16)20-12-21-23(29-27-20)32(31-28-21)18-13-24(2,3)30-25(4,5)14-18;1-22(2)11-15(12-23(3,4)29-22)31-21-19(27-30-31)10-18(26-28-21)16-6-5-14(9-20(16)32)17-7-8-24-13-25-17/h5-11,16,33,36H,12-13H2,1-4H3;6-12,18,30,33H,13-14H2,1-5H3;5-10,13,15,29,32H,11-12H2,1-4H3.
What are the key properties of 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol?
5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol has a molecular weight of 1371.60 g/mol, XLogP of 13.14, 9 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol is sourced from PubChem (CID 158056631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).