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

C85H114BBr2N19O9 — CID 164969678

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

5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine (PubChem CID 164969678) has the molecular formula C85H114BBr2N19O9 and a molecular weight of 1716.59 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine
• PubChem CID: 164969678
• Molecular Formula: C85H114BBr2N19O9
• Molecular Weight: 1716.59 g/mol
• Exact Mass: 1713.75
• IUPAC Name: 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine
• SMILES: Brc1ccc2[nH]ncc2n1.Brc1ccc2c(cnn2C2CCCCO2)n1.C1=COCCC1.CC1CC=C(B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1.CC1CC=C(c2ccc3c(cnn3C3CCCCO3)n2)N(C(=O)OC(C)(C)C)C1.CC1CCC(c2ccc3[nH]ncc3n2)=NC1.C[C@@H]1CC[C@@H](c2ccc3[nH]ncc3n2)NC1
• InChI: InChI=1S/C22H30N4O3.C17H30BNO4.C12H16N4.C12H14N4.C11H12BrN3O.C6H4BrN3.C5H8O/c1-15-8-10-18(25(14-15)21(27)29-22(2,3)4)16-9-11-19-17(24-16)13-23-26(19)20-7-5-6-12-28-20;1-12-9-10-13(18-22-16(5,6)17(7,8)23-18)19(11-12)14(20)21-15(2,3)4;2*1-8-2-3-9(13-6-8)10-4-5-11-12(15-10)7-14-16-11;12-10-5-4-9-8(14-10)7-13-15(9)11-3-1-2-6-16-11;7-6-2-1-4-5(9-6)3-8-10-4;1-2-4-6-5-3-1/h9-11,13,15,20H,5-8,12,14H2,1-4H3;10,12H,9,11H2,1-8H3;4-5,7-9,13H,2-3,6H2,1H3,(H,14,16);4-5,7-8H,2-3,6H2,1H3,(H,14,16);4-5,7,11H,1-3,6H2;1-3H,(H,8,10);2,4H,1,3,5H2/t;;8-,9+;;;;/m..1..../s1
• InChIKey: CYIUYXOXYOKSHS-IEMVRTJJSA-N
• XLogP: 18.65
• TPSA: 315.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 6
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1716.59
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine (CID 164969678) is 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine.

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

The canonical SMILES for 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine is Brc1ccc2[nH]ncc2n1.Brc1ccc2c(cnn2C2CCCCO2)n1.C1=COCCC1.CC1CC=C(B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1.CC1CC=C(c2ccc3c(cnn3C3CCCCO3)n2)N(C(=O)OC(C)(C)C)C1.CC1CCC(c2ccc3[nH]ncc3n2)=NC1.C[C@@H]1CC[C@@H](c2ccc3[nH]ncc3n2)NC1.

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

The InChIKey is CYIUYXOXYOKSHS-IEMVRTJJSA-N. The full InChI is InChI=1S/C22H30N4O3.C17H30BNO4.C12H16N4.C12H14N4.C11H12BrN3O.C6H4BrN3.C5H8O/c1-15-8-10-18(25(14-15)21(27)29-22(2,3)4)16-9-11-19-17(24-16)13-23-26(19)20-7-5-6-12-28-20;1-12-9-10-13(18-22-16(5,6)17(7,8)23-18)19(11-12)14(20)21-15(2,3)4;2*1-8-2-3-9(13-6-8)10-4-5-11-12(15-10)7-14-16-11;12-10-5-4-9-8(14-10)7-13-15(9)11-3-1-2-6-16-11;7-6-2-1-4-5(9-6)3-8-10-4;1-2-4-6-5-3-1/h9-11,13,15,20H,5-8,12,14H2,1-4H3;10,12H,9,11H2,1-8H3;4-5,7-9,13H,2-3,6H2,1H3,(H,14,16);4-5,7-8H,2-3,6H2,1H3,(H,14,16);4-5,7,11H,1-3,6H2;1-3H,(H,8,10);2,4H,1,3,5H2/t;;8-,9+;;;;/m..1..../s1.

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

5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine has a molecular weight of 1716.59 g/mol, XLogP of 18.65, 6 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 164969678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).