bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)

C59H71I2N13O2Si2 — CID 159369515

About bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)

bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole) (PubChem CID 159369515) has the molecular formula C59H71I2N13O2Si2 and a molecular weight of 1304.29 g/mol. Its IUPAC name is bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole).

Molecular Properties

• Compound Name: bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)
• PubChem CID: 159369515
• Molecular Formula: C59H71I2N13O2Si2
• Molecular Weight: 1304.29 g/mol
• Exact Mass: 1303.35
• IUPAC Name: bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)
• SMILES: CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.Ic1ccc2[nH]ncc2c1.Ic1ccc2[nH]ncc2c1.Nc1ccc2[nH]ncc2c1.c1cncc(-c2ccc3[nH]ncc3c2)c1.c1cncc(-c2ccc3[nH]ncc3c2)c1
• InChI: InChI=1S/2C12H9N3.2C7H5IN2.C7H7N3.2C7H18OSi/c2*1-2-10(7-13-5-1)9-3-4-12-11(6-9)8-14-15-12;3*8-6-1-2-7-5(3-6)4-9-10-7;2*1-5-8-6-7-9(2,3)4/h2*1-8H,(H,14,15);2*1-4H,(H,9,10);1-4H,8H2,(H,9,10);2*5-7H2,1-4H3
• InChIKey: LJOJYEPHBCSTDS-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 213.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1304.29
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)?

The IUPAC name of bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole) (CID 159369515) is bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole).

What is the SMILES notation for bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)?

The canonical SMILES for bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole) is CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.Ic1ccc2[nH]ncc2c1.Ic1ccc2[nH]ncc2c1.Nc1ccc2[nH]ncc2c1.c1cncc(-c2ccc3[nH]ncc3c2)c1.c1cncc(-c2ccc3[nH]ncc3c2)c1.

What is the InChIKey of bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)?

The InChIKey is LJOJYEPHBCSTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H9N3.2C7H5IN2.C7H7N3.2C7H18OSi/c2*1-2-10(7-13-5-1)9-3-4-12-11(6-9)8-14-15-12;3*8-6-1-2-7-5(3-6)4-9-10-7;2*1-5-8-6-7-9(2,3)4/h2*1-8H,(H,14,15);2*1-4H,(H,9,10);1-4H,8H2,(H,9,10);2*5-7H2,1-4H3.

What are the key properties of bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)?

bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole) has a molecular weight of 1304.29 g/mol, XLogP of 15.45, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole) is sourced from PubChem (CID 159369515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).