[5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate

C91H100Br3I2N17O14 — CID 157200785

About [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate

[5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate (PubChem CID 157200785) has the molecular formula C91H100Br3I2N17O14 and a molecular weight of 2149.43 g/mol. Its IUPAC name is [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
• PubChem CID: 157200785
• Molecular Formula: C91H100Br3I2N17O14
• Molecular Weight: 2149.43 g/mol
• Exact Mass: 2145.33
• IUPAC Name: [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
• SMILES: Brc1cnc2n[nH]c(I)c2c1.CC(C)(C)C(=O)OCn1nc(I)c2cc(Br)cnc21.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(Br)cc12.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(C3OC(C)(C)C(C)(C)O3)cc12
• InChI: InChI=1S/C28H31N5O4.C26H33N3O5.C19H20BrN3O3.C12H13BrIN3O2.C6H3BrIN3/c1-28(2,3)27(35)37-16-33-25-21(24(31-33)19-9-7-8-10-23(19)36-6)14-18(15-30-25)17-11-12-22(29)20(13-17)26(34)32(4)5;1-24(2,3)23(30)32-15-29-21-18(20(28-29)17-11-9-10-12-19(17)31-8)13-16(14-27-21)22-33-25(4,5)26(6,7)34-22;1-19(2,3)18(24)26-11-23-17-14(9-12(20)10-21-17)16(22-23)13-7-5-6-8-15(13)25-4;1-12(2,3)11(18)19-6-17-10-8(9(14)16-17)4-7(13)5-15-10;7-3-1-4-5(8)10-11-6(4)9-2-3/h7-15H,16,29H2,1-6H3;9-14,22H,15H2,1-8H3;5-10H,11H2,1-4H3;4-5H,6H2,1-3H3;1-2H,(H,9,10,11)
• InChIKey: AQTRXGHISWBDLP-UHFFFAOYSA-N
• XLogP: 19.95
• TPSA: 362.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.43
LogP ≤ 5	19.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The IUPAC name of [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate (CID 157200785) is [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate.

What is the SMILES notation for [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The canonical SMILES for [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate is Brc1cnc2n[nH]c(I)c2c1.CC(C)(C)C(=O)OCn1nc(I)c2cc(Br)cnc21.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(Br)cc12.COc1ccccc1-c1nn(COC(=O)C(C)(C)C)c2ncc(C3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

The InChIKey is AQTRXGHISWBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4.C26H33N3O5.C19H20BrN3O3.C12H13BrIN3O2.C6H3BrIN3/c1-28(2,3)27(35)37-16-33-25-21(24(31-33)19-9-7-8-10-23(19)36-6)14-18(15-30-25)17-11-12-22(29)20(13-17)26(34)32(4)5;1-24(2,3)23(30)32-15-29-21-18(20(28-29)17-11-9-10-12-19(17)31-8)13-16(14-27-21)22-33-25(4,5)26(6,7)34-22;1-19(2,3)18(24)26-11-23-17-14(9-12(20)10-21-17)16(22-23)13-7-5-6-8-15(13)25-4;1-12(2,3)11(18)19-6-17-10-8(9(14)16-17)4-7(13)5-15-10;7-3-1-4-5(8)10-11-6(4)9-2-3/h7-15H,16,29H2,1-6H3;9-14,22H,15H2,1-8H3;5-10H,11H2,1-4H3;4-5H,6H2,1-3H3;1-2H,(H,9,10,11).

What are the key properties of [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate?

[5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 2149.43 g/mol, XLogP of 19.95, 17 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;5-bromo-3-iodo-2H-pyrazolo[3,4-b]pyridine;(5-bromo-3-iodopyrazolo[5,4-b]pyridin-1-yl)methyl 2,2-dimethylpropanoate;[5-bromo-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate;[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 157200785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).