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

C73H87F2N23O4 — CID 159309746

IUPAC5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCCOc1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1.CCn1ncc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c1F.Cn1ncc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c1F
InChIInChI=1S/C26H31N7O2.C24H29FN8O.C23H27FN8O/c1-6-35-23-12-17(9-10-27-23)16-7-8-19(22(34)11-16)20-13-21-24(30-28-20)33(32-29-21)18-14-25(2,3)31-26(4,5)15-18;1-6-32-21(25)17(13-26-32)14-7-8-16(20(34)9-14)18-10-19-22(29-27-18)33(31-28-19)15-11-23(2,3)30-24(4,5)12-15;1-22(2)10-14(11-23(3,4)29-22)32-21-18(27-30-32)9-17(26-28-21)15-7-6-13(8-19(15)33)16-12-25-31(5)20(16)24/h7-13,18,31,34H,6,14-15H2,1-5H3;7-10,13,15,30,34H,6,11-12H2,1-5H3;6-9,12,14,29,33H,10-11H2,1-5H3
InChIKeyLCJPYHDMWIKPFH-UHFFFAOYSA-N
MW1388.65 g/mol
LogP12.25
Rot. Bonds12

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

5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (PubChem CID 159309746) has the molecular formula C73H87F2N23O4 and a molecular weight of 1388.65 g/mol. Its IUPAC name is 5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-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-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
PubChem CID159309746
Molecular FormulaC73H87F2N23O4
Molecular Weight1388.65 g/mol
Exact Mass1387.73
IUPAC Name5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCCOc1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1.CCn1ncc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c1F.Cn1ncc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c1F
InChIInChI=1S/C26H31N7O2.C24H29FN8O.C23H27FN8O/c1-6-35-23-12-17(9-10-27-23)16-7-8-19(22(34)11-16)20-13-21-24(30-28-20)33(32-29-21)18-14-25(2,3)31-26(4,5)15-18;1-6-32-21(25)17(13-26-32)14-7-8-16(20(34)9-14)18-10-19-22(29-27-18)33(31-28-19)15-11-23(2,3)30-24(4,5)12-15;1-22(2)10-14(11-23(3,4)29-22)32-21-18(27-30-32)9-17(26-28-21)15-7-6-13(8-19(15)33)16-12-25-31(5)20(16)24/h7-13,18,31,34H,6,14-15H2,1-5H3;7-10,13,15,30,34H,6,11-12H2,1-5H3;6-9,12,14,29,33H,10-11H2,1-5H3
InChIKeyLCJPYHDMWIKPFH-UHFFFAOYSA-N
XLogP12.25
TPSA324.01 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001388.65
LogP ≤ 512.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-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-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (CID 159309746) is 5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-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-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-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-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is CCOc1cc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)ccn1.CCn1ncc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c1F.Cn1ncc(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)c1F.
What is the InChIKey of 5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The InChIKey is LCJPYHDMWIKPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2.C24H29FN8O.C23H27FN8O/c1-6-35-23-12-17(9-10-27-23)16-7-8-19(22(34)11-16)20-13-21-24(30-28-20)33(32-29-21)18-14-25(2,3)31-26(4,5)15-18;1-6-32-21(25)17(13-26-32)14-7-8-16(20(34)9-14)18-10-19-22(29-27-18)33(31-28-19)15-11-23(2,3)30-24(4,5)12-15;1-22(2)10-14(11-23(3,4)29-22)32-21-18(27-30-32)9-17(26-28-21)15-7-6-13(8-19(15)33)16-12-25-31(5)20(16)24/h7-13,18,31,34H,6,14-15H2,1-5H3;7-10,13,15,30,34H,6,11-12H2,1-5H3;6-9,12,14,29,33H,10-11H2,1-5H3.
What are the key properties of 5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-1-methylpyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-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 1388.65 g/mol, XLogP of 12.25, 12 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(1-ethyl-5-fluoropyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(5-fluoro-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 159309746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).