azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

C93H116ClN19O11Si2 — CID 158853244

About azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (PubChem CID 158853244) has the molecular formula C93H116ClN19O11Si2 and a molecular weight of 1767.70 g/mol. Its IUPAC name is azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.

Molecular Properties

• Compound Name: azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
• PubChem CID: 158853244
• Molecular Formula: C93H116ClN19O11Si2
• Molecular Weight: 1767.70 g/mol
• Exact Mass: 1765.83
• IUPAC Name: azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
• SMILES: COCC(=O)Cl.COCC(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1.COCC(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(-c4ccnn4COCC[Si](C)(C)C)cn3)ccc2n1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4C5CCC4CNC5)ccc3c2)nc1.N
• InChI: InChI=1S/C33H42N6O4Si.C30H38N6O2Si.C27H28N6O3.C3H5ClO2.H3N/c1-41-22-33(40)37-20-27-8-9-28(21-37)38(27)19-26-7-5-24-17-29(10-11-30(24)36-26)43-32-12-6-25(18-34-32)31-13-14-35-39(31)23-42-15-16-44(2,3)4;1-39(2,3)15-14-37-21-36-29(12-13-33-36)23-5-11-30(32-17-23)38-27-9-10-28-22(16-27)4-6-24(34-28)20-35-25-7-8-26(35)19-31-18-25;1-35-17-27(34)32-15-21-5-6-22(16-32)33(21)14-20-4-2-18-12-23(7-8-24(18)30-20)36-26-9-3-19(13-28-26)25-10-11-29-31-25;1-6-2-3(4)5;/h5-7,10-14,17-18,27-28H,8-9,15-16,19-23H2,1-4H3;4-6,9-13,16-17,25-26,31H,7-8,14-15,18-21H2,1-3H3;2-4,7-13,21-22H,5-6,14-17H2,1H3,(H,29,31);2H2,1H3;1H3
• InChIKey: QLTUUHVUPRRAJO-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 329.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1767.70
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?

The IUPAC name of azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (CID 158853244) is azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.

What is the SMILES notation for azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?

The canonical SMILES for azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is COCC(=O)Cl.COCC(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1.COCC(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(-c4ccnn4COCC[Si](C)(C)C)cn3)ccc2n1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4C5CCC4CNC5)ccc3c2)nc1.N.

What is the InChIKey of azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?

The InChIKey is QLTUUHVUPRRAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O4Si.C30H38N6O2Si.C27H28N6O3.C3H5ClO2.H3N/c1-41-22-33(40)37-20-27-8-9-28(21-37)38(27)19-26-7-5-24-17-29(10-11-30(24)36-26)43-32-12-6-25(18-34-32)31-13-14-35-39(31)23-42-15-16-44(2,3)4;1-39(2,3)15-14-37-21-36-29(12-13-33-36)23-5-11-30(32-17-23)38-27-9-10-28-22(16-27)4-6-24(34-28)20-35-25-7-8-26(35)19-31-18-25;1-35-17-27(34)32-15-21-5-6-22(16-32)33(21)14-20-4-2-18-12-23(7-8-24(18)30-20)36-26-9-3-19(13-28-26)25-10-11-29-31-25;1-6-2-3(4)5;/h5-7,10-14,17-18,27-28H,8-9,15-16,19-23H2,1-4H3;4-6,9-13,16-17,25-26,31H,7-8,14-15,18-21H2,1-3H3;2-4,7-13,21-22H,5-6,14-17H2,1H3,(H,29,31);2H2,1H3;1H3.

What are the key properties of azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?

azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone has a molecular weight of 1767.70 g/mol, XLogP of 15.15, 31 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;2-methoxyacetyl chloride;2-methoxy-1-[8-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone;2-methoxy-1-[8-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is sourced from PubChem (CID 158853244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).