2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C102H121BN18O13Si2 — CID 158055745

About 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158055745) has the molecular formula C102H121BN18O13Si2 and a molecular weight of 1874.19 g/mol. Its IUPAC name is 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 158055745
• Molecular Formula: C102H121BN18O13Si2
• Molecular Weight: 1874.19 g/mol
• Exact Mass: 1872.90
• IUPAC Name: 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1ccccc1-c1[nH]nc2ncc(-c3cc(C)c(N)c(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12.COc1ccccc1-c1[nH]nc2ncc(-c3cc(C)c(N)c(C(=O)O)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(C)c(N)c(C(=O)O)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12
• InChI: InChI=1S/C29H35N7O2.C27H32N4O4Si.C25H36BN3O4Si.C21H18N4O3/c1-19-15-20(16-23(26(19)30)29(37)36-13-11-35(12-14-36)10-9-34(2)3)21-17-24-27(32-33-28(24)31-18-21)22-7-5-6-8-25(22)38-4;1-17-12-18(13-21(24(17)28)27(32)33)19-14-22-25(20-8-6-7-9-23(20)34-2)30-31(26(22)29-15-19)16-35-10-11-36(3,4)5;1-24(2)25(3,4)33-26(32-24)18-15-20-22(19-11-9-10-12-21(19)30-5)28-29(23(20)27-16-18)17-31-13-14-34(6,7)8;1-11-7-12(8-15(18(11)22)21(26)27)13-9-16-19(24-25-20(16)23-10-13)14-5-3-4-6-17(14)28-2/h5-8,15-18H,9-14,30H2,1-4H3,(H,31,32,33);6-9,12-15H,10-11,16,28H2,1-5H3,(H,32,33);9-12,15-16H,13-14,17H2,1-8H3;3-10H,22H2,1-2H3,(H,26,27)(H,23,24,25)
• InChIKey: FKALAHYTMZRIMJ-UHFFFAOYSA-N
• XLogP: 17.79
• TPSA: 397.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 28
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1874.19
LogP ≤ 5	17.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 158055745) is 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1ccccc1-c1[nH]nc2ncc(-c3cc(C)c(N)c(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12.COc1ccccc1-c1[nH]nc2ncc(-c3cc(C)c(N)c(C(=O)O)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cc(C)c(N)c(C(=O)O)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is FKALAHYTMZRIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2.C27H32N4O4Si.C25H36BN3O4Si.C21H18N4O3/c1-19-15-20(16-23(26(19)30)29(37)36-13-11-35(12-14-36)10-9-34(2)3)21-17-24-27(32-33-28(24)31-18-21)22-7-5-6-8-25(22)38-4;1-17-12-18(13-21(24(17)28)27(32)33)19-14-22-25(20-8-6-7-9-23(20)34-2)30-31(26(22)29-15-19)16-35-10-11-36(3,4)5;1-24(2)25(3,4)33-26(32-24)18-15-20-22(19-11-9-10-12-21(19)30-5)28-29(23(20)27-16-18)17-31-13-14-34(6,7)8;1-11-7-12(8-15(18(11)22)21(26)27)13-9-16-19(24-25-20(16)23-10-13)14-5-3-4-6-17(14)28-2/h5-8,15-18H,9-14,30H2,1-4H3,(H,31,32,33);6-9,12-15H,10-11,16,28H2,1-5H3,(H,32,33);9-12,15-16H,13-14,17H2,1-8H3;3-10H,22H2,1-2H3,(H,26,27)(H,23,24,25).

What are the key properties of 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1874.19 g/mol, XLogP of 17.79, 28 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzoic acid;[2-amino-5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylphenyl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone;2-amino-5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-3-methylbenzoic acid;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158055745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).