5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

C70H80FN25O3 — CID 157184835

IUPAC5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5cn6cncc6cn5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-n5cnc(F)c5)cc4O)nnc32)CC(C)(C)N1.Cc1cn(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)cn1
InChIInChI=1S/C25H27N9O.C23H28N8O.C22H25FN8O/c1-24(2)9-16(10-25(3,4)31-24)34-23-20(29-32-34)8-19(28-30-23)18-6-5-15(7-22(18)35)21-13-33-14-26-11-17(33)12-27-21;1-14-12-30(13-24-14)15-6-7-17(20(32)8-15)18-9-19-21(27-25-18)31(29-26-19)16-10-22(2,3)28-23(4,5)11-16;1-21(2)9-14(10-22(3,4)28-21)31-20-17(26-29-31)8-16(25-27-20)15-6-5-13(7-18(15)32)30-11-19(23)24-12-30/h5-8,11-14,16,31,35H,9-10H2,1-4H3;6-9,12-13,16,28,32H,10-11H2,1-5H3;5-8,11-12,14,28,32H,9-10H2,1-4H3
InChIKeyAOZONUPTCFUCDS-UHFFFAOYSA-N
MW1338.58 g/mol
LogP10.76
Rot. Bonds9

About 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (PubChem CID 157184835) has the molecular formula C70H80FN25O3 and a molecular weight of 1338.58 g/mol. Its IUPAC name is 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
PubChem CID157184835
Molecular FormulaC70H80FN25O3
Molecular Weight1338.58 g/mol
Exact Mass1337.69
IUPAC Name5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5cn6cncc6cn5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-n5cnc(F)c5)cc4O)nnc32)CC(C)(C)N1.Cc1cn(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)cn1
InChIInChI=1S/C25H27N9O.C23H28N8O.C22H25FN8O/c1-24(2)9-16(10-25(3,4)31-24)34-23-20(29-32-34)8-19(28-30-23)18-6-5-15(7-22(18)35)21-13-33-14-26-11-17(33)12-27-21;1-14-12-30(13-24-14)15-6-7-17(20(32)8-15)18-9-19-21(27-25-18)31(29-26-19)16-10-22(2,3)28-23(4,5)11-16;1-21(2)9-14(10-22(3,4)28-21)31-20-17(26-29-31)8-16(25-27-20)15-6-5-13(7-18(15)32)30-11-19(23)24-12-30/h5-8,11-14,16,31,35H,9-10H2,1-4H3;6-9,12-13,16,28,32H,10-11H2,1-5H3;5-8,11-12,14,28,32H,9-10H2,1-4H3
InChIKeyAOZONUPTCFUCDS-UHFFFAOYSA-N
XLogP10.76
TPSA332.08 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds9
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001338.58
LogP ≤ 510.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-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

Related Compounds

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
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-(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-[4-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 75223816
3-[4-amino-1-[[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78320626
3-[4-amino-1-[[4-[N-[2-(dimethylamino)ethyl]-3-hydroxyanilino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78321885
3-[4-amino-1-[[4-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344958
3-[4-amino-1-[(1S)-1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344987
3-[4-Amino-1-[[4-(2,5-diazabicyclo[2.2.2]octan-2-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345012
3-[4-amino-1-[[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345084
3-[4-amino-1-[(1R)-1-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345099

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The IUPAC name of 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (CID 157184835) is 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-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-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The canonical SMILES for 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5cn6cncc6cn5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-n5cnc(F)c5)cc4O)nnc32)CC(C)(C)N1.Cc1cn(-c2ccc(-c3cc4nnn(C5CC(C)(C)NC(C)(C)C5)c4nn3)c(O)c2)cn1.
What is the InChIKey of 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The InChIKey is AOZONUPTCFUCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O.C23H28N8O.C22H25FN8O/c1-24(2)9-16(10-25(3,4)31-24)34-23-20(29-32-34)8-19(28-30-23)18-6-5-15(7-22(18)35)21-13-33-14-26-11-17(33)12-27-21;1-14-12-30(13-24-14)15-6-7-17(20(32)8-15)18-9-19-21(27-25-18)31(29-26-19)16-10-22(2,3)28-23(4,5)11-16;1-21(2)9-14(10-22(3,4)28-21)31-20-17(26-29-31)8-16(25-27-20)15-6-5-13(7-18(15)32)30-11-19(23)24-12-30/h5-8,11-14,16,31,35H,9-10H2,1-4H3;6-9,12-13,16,28,32H,10-11H2,1-5H3;5-8,11-12,14,28,32H,9-10H2,1-4H3.
What are the key properties of 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol has a molecular weight of 1338.58 g/mol, XLogP of 10.76, 9 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyrazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-(4-methylimidazol-1-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 157184835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).