5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride

C125H141Br2ClN24O17S — CID 162042493

About 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride

5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 162042493) has the molecular formula C125H141Br2ClN24O17S and a molecular weight of 2478.98 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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride.

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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride
• PubChem CID: 162042493
• Molecular Formula: C125H141Br2ClN24O17S
• Molecular Weight: 2478.98 g/mol
• Exact Mass: 2474.87
• IUPAC Name: 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride
• SMILES: Brc1ccc2[nH]ncc2n1.Brc1ccc2c(cnn2C2CCCCO2)n1.C1=COCCC1.CC(C)(C)OC(=O)N1CCCc2ccc(CCO)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCOc3ccc4c(cnn4C4CCCCO4)n3)nc21.COc1ccc(C(CC(=O)O)n2ncc3nc(OCCc4ccc5c(n4)CCCC5)ccc32)cn1.Cc1ccc(S(=O)(=O)O)cc1.Cl.c1cc2c(nc1CCOc1ccc3[nH]ncc3n1)CCCC2.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C26H33N5O4.C26H27N5O4.C17H18N4O.C15H22N2O3.C12H8N2.C11H12BrN3O.C7H8O3S.C6H4BrN3.C5H8O.ClH/c1-26(2,3)35-25(32)30-14-6-7-18-9-10-19(28-24(18)30)13-16-33-22-12-11-21-20(29-22)17-27-31(21)23-8-4-5-15-34-23;1-34-24-10-7-18(15-27-24)23(14-26(32)33)31-22-9-11-25(30-21(22)16-28-31)35-13-12-19-8-6-17-4-2-3-5-20(17)29-19;1-2-4-14-12(3-1)5-6-13(19-14)9-10-22-17-8-7-15-16(20-17)11-18-21-15;1-15(2,3)20-14(19)17-9-4-5-11-6-7-12(8-10-18)16-13(11)17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12-10-5-4-9-8(14-10)7-13-15(9)11-3-1-2-6-16-11;1-6-2-4-7(5-3-6)11(8,9)10;7-6-2-1-4-5(9-6)3-8-10-4;1-2-4-6-5-3-1;/h9-12,17,23H,4-8,13-16H2,1-3H3;6-11,15-16,23H,2-5,12-14H2,1H3,(H,32,33);5-8,11H,1-4,9-10H2,(H,18,21);6-7,18H,4-5,8-10H2,1-3H3;1-8H;4-5,7,11H,1-3,6H2;2-5H,1H3,(H,8,9,10);1-3H,(H,8,10);2,4H,1,3,5H2;1H
• InChIKey: UENKXGFYUWITSC-UHFFFAOYSA-N
• XLogP: 24.16
• TPSA: 501.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2478.98
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', '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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride?

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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 162042493) is 5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride.

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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride?

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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride is Brc1ccc2[nH]ncc2n1.Brc1ccc2c(cnn2C2CCCCO2)n1.C1=COCCC1.CC(C)(C)OC(=O)N1CCCc2ccc(CCO)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCOc3ccc4c(cnn4C4CCCCO4)n3)nc21.COc1ccc(C(CC(=O)O)n2ncc3nc(OCCc4ccc5c(n4)CCCC5)ccc32)cn1.Cc1ccc(S(=O)(=O)O)cc1.Cl.c1cc2c(nc1CCOc1ccc3[nH]ncc3n1)CCCC2.c1cnc2c(c1)ccc1cccnc12.

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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride?

The InChIKey is UENKXGFYUWITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4.C26H27N5O4.C17H18N4O.C15H22N2O3.C12H8N2.C11H12BrN3O.C7H8O3S.C6H4BrN3.C5H8O.ClH/c1-26(2,3)35-25(32)30-14-6-7-18-9-10-19(28-24(18)30)13-16-33-22-12-11-21-20(29-22)17-27-31(21)23-8-4-5-15-34-23;1-34-24-10-7-18(15-27-24)23(14-26(32)33)31-22-9-11-25(30-21(22)16-28-31)35-13-12-19-8-6-17-4-2-3-5-20(17)29-19;1-2-4-14-12(3-1)5-6-13(19-14)9-10-22-17-8-7-15-16(20-17)11-18-21-15;1-15(2,3)20-14(19)17-9-4-5-11-6-7-12(8-10-18)16-13(11)17;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12-10-5-4-9-8(14-10)7-13-15(9)11-3-1-2-6-16-11;1-6-2-4-7(5-3-6)11(8,9)10;7-6-2-1-4-5(9-6)3-8-10-4;1-2-4-6-5-3-1;/h9-12,17,23H,4-8,13-16H2,1-3H3;6-11,15-16,23H,2-5,12-14H2,1H3,(H,32,33);5-8,11H,1-4,9-10H2,(H,18,21);6-7,18H,4-5,8-10H2,1-3H3;1-8H;4-5,7,11H,1-3,6H2;2-5H,1H3,(H,8,9,10);1-3H,(H,8,10);2,4H,1,3,5H2;1H.

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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride?

5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 2478.98 g/mol, XLogP of 24.16, 22 rotatable bonds, 5 hydrogen bond donors, and 35 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 7-(2-hydroxyethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-[2-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]oxyethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;3,4-dihydro-2H-pyran;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]pyrazolo[4,5-b]pyridin-1-yl]propanoic acid;4-methylbenzenesulfonic acid;1,10-phenanthroline;2-[2-(1H-pyrazolo[4,5-b]pyridin-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 162042493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).