2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide

C56H68N10O5Si — CID 159931544

About 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide

2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide (PubChem CID 159931544) has the molecular formula C56H68N10O5Si and a molecular weight of 989.31 g/mol. Its IUPAC name is 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide
• PubChem CID: 159931544
• Molecular Formula: C56H68N10O5Si
• Molecular Weight: 989.31 g/mol
• Exact Mass: 988.51
• IUPAC Name: 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide
• SMILES: COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C(=O)N(C)C)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C(=O)N(C)C)N(C)C)c3)cc12
• InChI: InChI=1S/C31H41N5O3Si.C25H27N5O2/c1-34(2)29(31(37)35(3)4)23-13-11-12-22(18-23)24-19-26-28(25-14-9-10-15-27(25)38-5)33-36(30(26)32-20-24)21-39-16-17-40(6,7)8;1-29(2)23(25(31)30(3)4)17-10-8-9-16(13-17)18-14-20-22(27-28-24(20)26-15-18)19-11-6-7-12-21(19)32-5/h9-15,18-20,29H,16-17,21H2,1-8H3;6-15,23H,1-5H3,(H,26,27,28)
• InChIKey: NZRYGNFUVCVJJO-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 147.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.31
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide?

The IUPAC name of 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide (CID 159931544) is 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide.

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

The canonical SMILES for 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(C(=O)N(C)C)N(C)C)c3)cc12.COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C(=O)N(C)C)N(C)C)c3)cc12.

What is the InChIKey of 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide?

The InChIKey is NZRYGNFUVCVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O3Si.C25H27N5O2/c1-34(2)29(31(37)35(3)4)23-13-11-12-22(18-23)24-19-26-28(25-14-9-10-15-27(25)38-5)33-36(30(26)32-20-24)21-39-16-17-40(6,7)8;1-29(2)23(25(31)30(3)4)17-10-8-9-16(13-17)18-14-20-22(27-28-24(20)26-15-18)19-11-6-7-12-21(19)32-5/h9-15,18-20,29H,16-17,21H2,1-8H3;6-15,23H,1-5H3,(H,26,27,28).

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

2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide has a molecular weight of 989.31 g/mol, XLogP of 9.77, 17 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 159931544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).