N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine

C27H36BrN7O2Si — CID 159954486

About N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine

N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine (PubChem CID 159954486) has the molecular formula C27H36BrN7O2Si and a molecular weight of 598.62 g/mol. Its IUPAC name is N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine.

Molecular Properties

• Compound Name: N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine
• PubChem CID: 159954486
• Molecular Formula: C27H36BrN7O2Si
• Molecular Weight: 598.62 g/mol
• Exact Mass: 597.19
• IUPAC Name: N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine
• SMILES: CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(N)nc3)ccc12.Nc1ccc(Br)cn1
• InChI: InChI=1S/C22H31N5O2Si.C5H5BrN2/c1-5-6-21(28)25-22-18-9-7-16(17-8-10-20(23)24-14-17)13-19(18)27(26-22)15-29-11-12-30(2,3)4;6-4-1-2-5(7)8-3-4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H2,23,24)(H,25,26,28);1-3H,(H2,7,8)
• InChIKey: OCNOWINAXBHUHY-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 133.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.62
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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 N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine?

The IUPAC name of N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine (CID 159954486) is N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine.

What is the SMILES notation for N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine?

The canonical SMILES for N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine is CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(N)nc3)ccc12.Nc1ccc(Br)cn1.

What is the InChIKey of N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine?

The InChIKey is OCNOWINAXBHUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2Si.C5H5BrN2/c1-5-6-21(28)25-22-18-9-7-16(17-8-10-20(23)24-14-17)13-19(18)27(26-22)15-29-11-12-30(2,3)4;6-4-1-2-5(7)8-3-4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H2,23,24)(H,25,26,28);1-3H,(H2,7,8).

What are the key properties of N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine?

N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine has a molecular weight of 598.62 g/mol, XLogP of 6.16, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6-amino-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide;5-bromopyridin-2-amine is sourced from PubChem (CID 159954486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).