N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C20H26BrN5O2Si — CID 91324453

About N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 91324453) has the molecular formula C20H26BrN5O2Si and a molecular weight of 476.45 g/mol. Its IUPAC name is N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
• PubChem CID: 91324453
• Molecular Formula: C20H26BrN5O2Si
• Molecular Weight: 476.45 g/mol
• Exact Mass: 475.10
• IUPAC Name: N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OCc1cccc(NC(=O)c2[nH]nc3ncc(Br)cc23)c1N
• InChI: InChI=1S/C20H26BrN5O2Si/c1-20(2,3)29(4,5)28-11-12-7-6-8-15(16(12)22)24-19(27)17-14-9-13(21)10-23-18(14)26-25-17/h6-10H,11,22H2,1-5H3,(H,24,27)(H,23,25,26)
• InChIKey: HFIFKFWXZJQJGJ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 105.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.45
LogP ≤ 5	5.08
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 N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?

The IUPAC name of N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 91324453) is N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?

The canonical SMILES for N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is CC(C)(C)[Si](C)(C)OCc1cccc(NC(=O)c2[nH]nc3ncc(Br)cc23)c1N.

What is the InChIKey of N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?

The InChIKey is HFIFKFWXZJQJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O2Si/c1-20(2,3)29(4,5)28-11-12-7-6-8-15(16(12)22)24-19(27)17-14-9-13(21)10-23-18(14)26-25-17/h6-10H,11,22H2,1-5H3,(H,24,27)(H,23,25,26).

What are the key properties of N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?

N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 476.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 91324453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).