2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid

C99H111Br2N11O13Si2 — CID 158145961

About 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid

2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid (PubChem CID 158145961) has the molecular formula C99H111Br2N11O13Si2 and a molecular weight of 1879.02 g/mol. Its IUPAC name is 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid.

Molecular Properties

• Compound Name: 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid
• PubChem CID: 158145961
• Molecular Formula: C99H111Br2N11O13Si2
• Molecular Weight: 1879.02 g/mol
• Exact Mass: 1875.63
• IUPAC Name: 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid
• SMILES: CC(C(=O)O)c1cccc(Br)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)C(=O)O)c3)cc12.O=C(O)Cc1cccc(Br)c1
• InChI: InChI=1S/C30H38N4O3Si.C28H33N3O4Si.C24H24N4O2.C9H9BrO2.C8H7BrO2/c1-21(30(35)33(2)3)22-11-10-12-23(17-22)24-18-26-28(25-13-8-9-14-27(25)36-4)32-34(29(26)31-19-24)20-37-15-16-38(5,6)7;1-19(28(32)33)20-9-8-10-21(15-20)22-16-24-26(23-11-6-7-12-25(23)34-2)30-31(27(24)29-17-22)18-35-13-14-36(3,4)5;1-15(24(29)28(2)3)16-8-7-9-17(12-16)18-13-20-22(26-27-23(20)25-14-18)19-10-5-6-11-21(19)30-4;1-6(9(11)12)7-3-2-4-8(10)5-7;9-7-3-1-2-6(4-7)5-8(10)11/h8-14,17-19,21H,15-16,20H2,1-7H3;6-12,15-17,19H,13-14,18H2,1-5H3,(H,32,33);5-15H,1-4H3,(H,25,26,27);2-6H,1H3,(H,11,12);1-4H,5H2,(H,10,11)
• InChIKey: FUNCLIUQLGEWFI-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 301.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.02
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid?

The IUPAC name of 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid (CID 158145961) is 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid.

What is the SMILES notation for 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid?

The canonical SMILES for 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid is CC(C(=O)O)c1cccc(Br)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)C(=O)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)C(=O)O)c3)cc12.O=C(O)Cc1cccc(Br)c1.

What is the InChIKey of 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid?

The InChIKey is FUNCLIUQLGEWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O3Si.C28H33N3O4Si.C24H24N4O2.C9H9BrO2.C8H7BrO2/c1-21(30(35)33(2)3)22-11-10-12-23(17-22)24-18-26-28(25-13-8-9-14-27(25)36-4)32-34(29(26)31-19-24)20-37-15-16-38(5,6)7;1-19(28(32)33)20-9-8-10-21(15-20)22-16-24-26(23-11-6-7-12-25(23)34-2)30-31(27(24)29-17-22)18-35-13-14-36(3,4)5;1-15(24(29)28(2)3)16-8-7-9-17(12-16)18-13-20-22(26-27-23(20)25-14-18)19-10-5-6-11-21(19)30-4;1-6(9(11)12)7-3-2-4-8(10)5-7;9-7-3-1-2-6(4-7)5-8(10)11/h8-14,17-19,21H,15-16,20H2,1-7H3;6-12,15-17,19H,13-14,18H2,1-5H3,(H,32,33);5-15H,1-4H3,(H,25,26,27);2-6H,1H3,(H,11,12);1-4H,5H2,(H,10,11).

What are the key properties of 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid?

2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid has a molecular weight of 1879.02 g/mol, XLogP of 21.76, 29 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenyl)acetic acid;2-(3-bromophenyl)propanoic acid;2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]propanoic acid is sourced from PubChem (CID 158145961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).