5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C104H142B3Br2F3N22O19S — CID 164994945

About 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 164994945) has the molecular formula C104H142B3Br2F3N22O19S and a molecular weight of 2285.72 g/mol. Its IUPAC name is 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 164994945
• Molecular Formula: C104H142B3Br2F3N22O19S
• Molecular Weight: 2285.72 g/mol
• Exact Mass: 2282.91
• IUPAC Name: 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cnc2[nH]ncc2c1.CC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CC(C)(C)OC(=O)n1ncc2cc(Br)cnc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CC=C(c2cnc3[nH]ncc3c2)NC1.CC1CC=C(c2cnc3c(cnn3C(=O)OC(C)(C)C)c2)N(C(=O)OC(C)(C)C)C1.C[C@H]1CC[C@H](c2cnc3[nH]ncc3c2)NC1
• InChI: InChI=1S/C22H30N4O4.C17H24BN3O4.C12H24B2O4.C12H18F3NO5S.C12H16N4.C12H14N4.C11H12BrN3O2.C6H4BrN3/c1-14-8-9-17(25(13-14)19(27)29-21(2,3)4)15-10-16-12-24-26(18(16)23-11-15)20(28)30-22(5,6)7;1-15(2,3)23-14(22)21-13-11(9-20-21)8-12(10-19-13)18-24-16(4,5)17(6,7)25-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;2*1-8-2-3-11(13-5-8)9-4-10-7-15-16-12(10)14-6-9;1-11(2,3)17-10(16)15-9-7(5-14-15)4-8(12)6-13-9;7-5-1-4-2-9-10-6(4)8-3-5/h9-12,14H,8,13H2,1-7H3;8-10H,1-7H3;1-8H3;6,8H,5,7H2,1-4H3;4,6-8,11,13H,2-3,5H2,1H3,(H,14,15,16);3-4,6-8,13H,2,5H2,1H3,(H,14,15,16);4-6H,1-3H3;1-3H,(H,8,9,10)/t;;;;8-,11+;;;/m....0.../s1
• InChIKey: HKODMFQQUDMAPE-AKHFNZHCSA-N
• XLogP: 21.21
• TPSA: 477.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 7
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.72
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 164994945) is 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cnc2[nH]ncc2c1.CC(C)(C)OC(=O)n1ncc2cc(B3OC(C)(C)C(C)(C)O3)cnc21.CC(C)(C)OC(=O)n1ncc2cc(Br)cnc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1CC=C(OS(=O)(=O)C(F)(F)F)N(C(=O)OC(C)(C)C)C1.CC1CC=C(c2cnc3[nH]ncc3c2)NC1.CC1CC=C(c2cnc3c(cnn3C(=O)OC(C)(C)C)c2)N(C(=O)OC(C)(C)C)C1.C[C@H]1CC[C@H](c2cnc3[nH]ncc3c2)NC1.

What is the InChIKey of 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HKODMFQQUDMAPE-AKHFNZHCSA-N. The full InChI is InChI=1S/C22H30N4O4.C17H24BN3O4.C12H24B2O4.C12H18F3NO5S.C12H16N4.C12H14N4.C11H12BrN3O2.C6H4BrN3/c1-14-8-9-17(25(13-14)19(27)29-21(2,3)4)15-10-16-12-24-26(18(16)23-11-15)20(28)30-22(5,6)7;1-15(2,3)23-14(22)21-13-11(9-20-21)8-12(10-19-13)18-24-16(4,5)17(6,7)25-18;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8-5-6-9(21-22(18,19)12(13,14)15)16(7-8)10(17)20-11(2,3)4;2*1-8-2-3-11(13-5-8)9-4-10-7-15-16-12(10)14-6-9;1-11(2,3)17-10(16)15-9-7(5-14-15)4-8(12)6-13-9;7-5-1-4-2-9-10-6(4)8-3-5/h9-12,14H,8,13H2,1-7H3;8-10H,1-7H3;1-8H3;6,8H,5,7H2,1-4H3;4,6-8,11,13H,2-3,5H2,1H3,(H,14,15,16);3-4,6-8,13H,2,5H2,1H3,(H,14,15,16);4-6H,1-3H3;1-3H,(H,8,9,10)/t;;;;8-,11+;;;/m....0.../s1.

What are the key properties of 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2285.72 g/mol, XLogP of 21.21, 7 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrazolo[3,4-b]pyridine;tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-2H-pyridin-6-yl]pyrazolo[3,4-b]pyridine-1-carboxylate;tert-butyl 3-methyl-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine-1-carboxylate;5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-pyrazolo[3,4-b]pyridine;5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrazolo[3,4-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 164994945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).