5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide

C20H24BrN5O2Si — CID 86627821

About 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide

5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide (PubChem CID 86627821) has the molecular formula C20H24BrN5O2Si and a molecular weight of 474.44 g/mol.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide
• PubChem CID: 86627821
• Molecular Formula: C20H24BrN5O2Si
• Molecular Weight: 474.44 g/mol
• Exact Mass: 473.09
• IUPAC Name: —
• SMILES: CC(C)(C)[Si]OC(C)(C)c1cccc(NC(=O)c2[nH]nc3ncc(Br)cc23)c1N
• InChI: InChI=1S/C20H24BrN5O2Si/c1-19(2,3)29-28-20(4,5)13-7-6-8-14(15(13)22)24-18(27)16-12-9-11(21)10-23-17(12)26-25-16/h6-10H,22H2,1-5H3,(H,24,27)(H,23,25,26)
• InChIKey: GOKZPOJKBNQUGB-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 105.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.44
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide?

The IUPAC name of 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide (CID 86627821) is not available.

What is the SMILES notation for 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide?

The canonical SMILES for 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide is CC(C)(C)[Si]OC(C)(C)c1cccc(NC(=O)c2[nH]nc3ncc(Br)cc23)c1N.

What is the InChIKey of 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide?

The InChIKey is GOKZPOJKBNQUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2Si/c1-19(2,3)29-28-20(4,5)13-7-6-8-14(15(13)22)24-18(27)16-12-9-11(21)10-23-17(12)26-25-16/h6-10H,22H2,1-5H3,(H,24,27)(H,23,25,26).

What are the key properties of 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide?

5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide has a molecular weight of 474.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid [2-amino-3-(tert-butyl-dimethyl-silanyloxymethyl)-phenyl]-amide is sourced from PubChem (CID 86627821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).