5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C78H72Br3I2N17O10 — CID 160544980

About 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 160544980) has the molecular formula C78H72Br3I2N17O10 and a molecular weight of 1901.06 g/mol. Its IUPAC name is 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 160544980
• Molecular Formula: C78H72Br3I2N17O10
• Molecular Weight: 1901.06 g/mol
• Exact Mass: 1897.13
• IUPAC Name: 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
• SMILES: Brc1cnc2n[nH]c(I)c2c1.COCCOCn1nc(-c2ccccc2OC)c2cc(Br)cnc21.COCCOCn1nc(I)c2cc(Br)cnc21.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc12.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)O)c3)cc12
• InChI: InChI=1S/C25H25N5O2.C20H15N3O3.C17H18BrN3O3.C10H11BrIN3O2.C6H3BrIN3/c1-29-10-12-30(13-11-29)25(31)18-7-5-6-17(14-18)19-15-21-23(27-28-24(21)26-16-19)20-8-3-4-9-22(20)32-2;1-26-17-8-3-2-7-15(17)18-16-10-14(11-21-19(16)23-22-18)12-5-4-6-13(9-12)20(24)25;1-22-7-8-24-11-21-17-14(9-12(18)10-19-17)16(20-21)13-5-3-4-6-15(13)23-2;1-16-2-3-17-6-15-10-8(9(12)14-15)4-7(11)5-13-10;7-3-1-4-5(8)10-11-6(4)9-2-3/h3-9,14-16H,10-13H2,1-2H3,(H,26,27,28);2-11H,1H3,(H,24,25)(H,21,22,23);3-6,9-10H,7-8,11H2,1-2H3;4-5H,2-3,6H2,1H3;1-2H,(H,9,10,11)
• InChIKey: QXHNHBAOPRZIEW-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 311.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.06
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 160544980) is 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is Brc1cnc2n[nH]c(I)c2c1.COCCOCn1nc(-c2ccccc2OC)c2cc(Br)cnc21.COCCOCn1nc(I)c2cc(Br)cnc21.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)N4CCN(C)CC4)c3)cc12.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)O)c3)cc12.

What is the InChIKey of 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is QXHNHBAOPRZIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2.C20H15N3O3.C17H18BrN3O3.C10H11BrIN3O2.C6H3BrIN3/c1-29-10-12-30(13-11-29)25(31)18-7-5-6-17(14-18)19-15-21-23(27-28-24(21)26-16-19)20-8-3-4-9-22(20)32-2;1-26-17-8-3-2-7-15(17)18-16-10-14(11-21-19(16)23-22-18)12-5-4-6-13(9-12)20(24)25;1-22-7-8-24-11-21-17-14(9-12(18)10-19-17)16(20-21)13-5-3-4-6-15(13)23-2;1-16-2-3-17-6-15-10-8(9(12)14-15)4-7(11)5-13-10;7-3-1-4-5(8)10-11-6(4)9-2-3/h3-9,14-16H,10-13H2,1-2H3,(H,26,27,28);2-11H,1H3,(H,24,25)(H,21,22,23);3-6,9-10H,7-8,11H2,1-2H3;4-5H,2-3,6H2,1H3;1-2H,(H,9,10,11).

What are the key properties of 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?

5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 1901.06 g/mol, XLogP of 15.92, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-iodo-1-(2-methoxyethoxymethyl)pyrazolo[5,4-b]pyridine;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;5-bromo-1-(2-methoxyethoxymethyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridine;3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzoic acid;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 160544980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).