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

C68H79FN24O3 — CID 159118874

IUPAC4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccccn5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-n5cncn5)cc4O)nnc32)CC(C)(C)N1.Cn1cc(-c2cc(O)c(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)cc2F)cn1
InChIInChI=1S/C24H27N7O.C23H27FN8O.C21H25N9O/c1-23(2)13-16(14-24(3,4)29-23)31-22-20(27-30-31)12-19(26-28-22)17-9-8-15(11-21(17)32)18-7-5-6-10-25-18;1-22(2)9-14(10-23(3,4)29-22)32-21-19(27-30-32)8-18(26-28-21)16-6-17(24)15(7-20(16)33)13-11-25-31(5)12-13;1-20(2)9-14(10-21(3,4)27-20)30-19-17(25-28-30)8-16(24-26-19)15-6-5-13(7-18(15)31)29-12-22-11-23-29/h5-12,16,29,32H,13-14H2,1-4H3;6-8,11-12,14,29,33H,9-10H2,1-5H3;5-8,11-12,14,27,31H,9-10H2,1-4H3
InChIKeyKFKWKYMTFLKTRB-UHFFFAOYSA-N
MW1299.54 g/mol
LogP10.41
Rot. Bonds9

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

4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol (PubChem CID 159118874) has the molecular formula C68H79FN24O3 and a molecular weight of 1299.54 g/mol. Its IUPAC name is 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol
PubChem CID159118874
Molecular FormulaC68H79FN24O3
Molecular Weight1299.54 g/mol
Exact Mass1298.68
IUPAC Name4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccccn5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-n5cncn5)cc4O)nnc32)CC(C)(C)N1.Cn1cc(-c2cc(O)c(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)cc2F)cn1
InChIInChI=1S/C24H27N7O.C23H27FN8O.C21H25N9O/c1-23(2)13-16(14-24(3,4)29-23)31-22-20(27-30-31)12-19(26-28-22)17-9-8-15(11-21(17)32)18-7-5-6-10-25-18;1-22(2)9-14(10-23(3,4)29-22)32-21-19(27-30-32)8-18(26-28-21)16-6-17(24)15(7-20(16)33)13-11-25-31(5)12-13;1-20(2)9-14(10-21(3,4)27-20)30-19-17(25-28-30)8-16(24-26-19)15-6-5-13(7-18(15)31)29-12-22-11-23-29/h5-12,16,29,32H,13-14H2,1-4H3;6-8,11-12,14,29,33H,9-10H2,1-5H3;5-8,11-12,14,27,31H,9-10H2,1-4H3
InChIKeyKFKWKYMTFLKTRB-UHFFFAOYSA-N
XLogP10.41
TPSA327.67 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001299.54
LogP ≤ 510.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-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
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-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-[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
5-[7-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 59177954
5-[7-[4-[(1R,4R)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 59177959
2-fluoro-5-[7-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 59177981
5-[7-[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 74957162
3-[7-[2-Fluoro-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 75112304
5-[7-[4-(5-Ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 75223633

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol?
The IUPAC name of 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol (CID 159118874) is 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccccn5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-n5cncn5)cc4O)nnc32)CC(C)(C)N1.Cn1cc(-c2cc(O)c(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)cc2F)cn1.
What is the InChIKey of 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol?
The InChIKey is KFKWKYMTFLKTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O.C23H27FN8O.C21H25N9O/c1-23(2)13-16(14-24(3,4)29-23)31-22-20(27-30-31)12-19(26-28-22)17-9-8-15(11-21(17)32)18-7-5-6-10-25-18;1-22(2)9-14(10-23(3,4)29-22)32-21-19(27-30-32)8-18(26-28-21)16-6-17(24)15(7-20(16)33)13-11-25-31(5)12-13;1-20(2)9-14(10-21(3,4)27-20)30-19-17(25-28-30)8-16(24-26-19)15-6-5-13(7-18(15)31)29-12-22-11-23-29/h5-12,16,29,32H,13-14H2,1-4H3;6-8,11-12,14,29,33H,9-10H2,1-5H3;5-8,11-12,14,27,31H,9-10H2,1-4H3.
What are the key properties of 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol?
4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol has a molecular weight of 1299.54 g/mol, XLogP of 10.41, 9 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyridin-2-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-(1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 159118874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).