5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine

C79H100BBrN14O4 — CID 159484415

About 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine

5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine (PubChem CID 159484415) has the molecular formula C79H100BBrN14O4 and a molecular weight of 1400.48 g/mol. Its IUPAC name is 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine.

Molecular Properties

• Compound Name: 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
• PubChem CID: 159484415
• Molecular Formula: C79H100BBrN14O4
• Molecular Weight: 1400.48 g/mol
• Exact Mass: 1398.73
• IUPAC Name: 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
• SMILES: C.C.CC1=NCc2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc21.CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.COc1ccc(Cn2nc(C)c3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(Br)cnc32)cc1
• InChI: InChI=1S/C26H29N5O.C19H22N4.C17H27BN2O2.C15H14BrN3O.2CH4/c1-19-25-16-22(21-6-8-23(9-7-21)30-14-12-29(2)13-15-30)17-27-26(25)31(28-19)18-20-4-10-24(32-3)11-5-20;1-14-18-11-16(12-21-19(18)13-20-14)15-3-5-17(6-4-15)23-9-7-22(2)8-10-23;1-16(2)17(3,4)22-18(21-16)14-6-8-15(9-7-14)20-12-10-19(5)11-13-20;1-10-14-7-12(16)8-17-15(14)19(18-10)9-11-3-5-13(20-2)6-4-11;;/h4-11,16-17H,12-15,18H2,1-3H3;3-6,11-12H,7-10,13H2,1-2H3;6-9H,10-13H2,1-5H3;3-8H,9H2,1-2H3;2*1H4
• InChIKey: LXKDJVRTTAPMLT-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 143.03 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.48
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine?

The IUPAC name of 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine (CID 159484415) is 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine.

What is the SMILES notation for 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine?

The canonical SMILES for 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine is C.C.CC1=NCc2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc21.CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1.COc1ccc(Cn2nc(C)c3cc(-c4ccc(N5CCN(C)CC5)cc4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(Br)cnc32)cc1.

What is the InChIKey of 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine?

The InChIKey is LXKDJVRTTAPMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O.C19H22N4.C17H27BN2O2.C15H14BrN3O.2CH4/c1-19-25-16-22(21-6-8-23(9-7-21)30-14-12-29(2)13-15-30)17-27-26(25)31(28-19)18-20-4-10-24(32-3)11-5-20;1-14-18-11-16(12-21-19(18)13-20-14)15-3-5-17(6-4-15)23-9-7-22(2)8-10-23;1-16(2)17(3,4)22-18(21-16)14-6-8-15(9-7-14)20-12-10-19(5)11-13-20;1-10-14-7-12(16)8-17-15(14)19(18-10)9-11-3-5-13(20-2)6-4-11;;/h4-11,16-17H,12-15,18H2,1-3H3;3-6,11-12H,7-10,13H2,1-2H3;6-9H,10-13H2,1-5H3;3-8H,9H2,1-2H3;2*1H4.

What are the key properties of 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine?

5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine has a molecular weight of 1400.48 g/mol, XLogP of 13.61, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;methane;1-[(4-methoxyphenyl)methyl]-3-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine;5-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[3,4-b]pyridine;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine is sourced from PubChem (CID 159484415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).