5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

C73H80FN25O3 — CID 158883911

IUPAC5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2ncc3cc(-c4ccc(-c5cn[nH]c5F)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccc6nccn6n5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5cnc6nccn6c5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/2C25H27N9O.C23H26FN7O/c1-24(2)11-17(12-25(3,4)31-24)34-22-20(29-32-34)10-19(28-30-22)18-6-5-15(9-21(18)35)16-13-27-23-26-7-8-33(23)14-16;1-24(2)13-16(14-25(3,4)31-24)34-23-20(28-32-34)12-19(27-29-23)17-6-5-15(11-21(17)35)18-7-8-22-26-9-10-33(22)30-18;1-22(2)9-15(10-23(3,4)30-22)31-21-14(11-26-31)7-18(27-29-21)16-6-5-13(8-19(16)32)17-12-25-28-20(17)24/h5-10,13-14,17,31,35H,11-12H2,1-4H3;5-12,16,31,35H,13-14H2,1-4H3;5-8,11-12,15,30,32H,9-10H2,1-4H3,(H,25,28)
InChIKeyJDJIRENUACFPGV-UHFFFAOYSA-N
MW1374.61 g/mol
LogP11.78
Rot. Bonds9

About 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol

5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (PubChem CID 158883911) has the molecular formula C73H80FN25O3 and a molecular weight of 1374.61 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
PubChem CID158883911
Molecular FormulaC73H80FN25O3
Molecular Weight1374.61 g/mol
Exact Mass1373.69
IUPAC Name5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
SMILESCC1(C)CC(n2ncc3cc(-c4ccc(-c5cn[nH]c5F)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccc6nccn6n5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5cnc6nccn6c5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/2C25H27N9O.C23H26FN7O/c1-24(2)11-17(12-25(3,4)31-24)34-22-20(29-32-34)10-19(28-30-22)18-6-5-15(9-21(18)35)16-13-27-23-26-7-8-33(23)14-16;1-24(2)13-16(14-25(3,4)31-24)34-23-20(28-32-34)12-19(27-29-23)17-6-5-15(11-21(17)35)18-7-8-22-26-9-10-33(22)30-18;1-22(2)9-15(10-23(3,4)30-22)31-21-14(11-26-31)7-18(27-29-21)16-6-5-13(8-19(16)32)17-12-25-28-20(17)24/h5-10,13-14,17,31,35H,11-12H2,1-4H3;5-12,16,31,35H,13-14H2,1-4H3;5-8,11-12,15,30,32H,9-10H2,1-4H3,(H,25,28)
InChIKeyJDJIRENUACFPGV-UHFFFAOYSA-N
XLogP11.78
TPSA342.42 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001374.61
LogP ≤ 511.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-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

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-(3-fluoro-5-hydroxyphenyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 78324388
3-[4-Amino-1-[[5-methyl-4-(2-pyrrolidin-1-ylethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90344933
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
3-[4-Amino-1-[1-[3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573046
3-[4-Amino-1-[1-[3-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573078
3-[4-Amino-1-[1-[3-[(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573110

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The IUPAC name of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol (CID 158883911) is 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-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-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The canonical SMILES for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is CC1(C)CC(n2ncc3cc(-c4ccc(-c5cn[nH]c5F)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccc6nccn6n5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5cnc6nccn6c5)cc4O)nnc32)CC(C)(C)N1.
What is the InChIKey of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
The InChIKey is JDJIRENUACFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H27N9O.C23H26FN7O/c1-24(2)11-17(12-25(3,4)31-24)34-22-20(29-32-34)10-19(28-30-22)18-6-5-15(9-21(18)35)16-13-27-23-26-7-8-33(23)14-16;1-24(2)13-16(14-25(3,4)31-24)34-23-20(28-32-34)12-19(27-29-23)17-6-5-15(11-21(17)35)18-7-8-22-26-9-10-33(22)30-18;1-22(2)9-15(10-23(3,4)30-22)31-21-14(11-26-31)7-18(27-29-21)16-6-5-13(8-19(16)32)17-12-25-28-20(17)24/h5-10,13-14,17,31,35H,11-12H2,1-4H3;5-12,16,31,35H,13-14H2,1-4H3;5-8,11-12,15,30,32H,9-10H2,1-4H3,(H,25,28).
What are the key properties of 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol?
5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol has a molecular weight of 1374.61 g/mol, XLogP of 11.78, 9 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol;5-imidazo[1,2-a]pyrimidin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,2-b]pyridazin-6-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 158883911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).