deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde

C57H71N9O6Si — CID 158277513

About deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde

deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde (PubChem CID 158277513) has the molecular formula C57H71N9O6Si and a molecular weight of 1007.34 g/mol. Its IUPAC name is deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde.

Molecular Properties

• Compound Name: deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
• PubChem CID: 158277513
• Molecular Formula: C57H71N9O6Si
• Molecular Weight: 1007.34 g/mol
• Exact Mass: 1006.54
• IUPAC Name: deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
• SMILES: C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.NCCC1CCOCC1.[H][2H].c1cc(-c2ccc(Oc3ccc4nc(CCCCC5CCOCC5)ccc4c3)nc2)[nH]n1
• InChI: InChI=1S/C26H28N4O2.C24H26N4O3Si.C7H15NO.H2/c1(3-19-12-15-31-16-13-19)2-4-22-7-5-20-17-23(8-9-24(20)29-22)32-26-10-6-21(18-27-26)25-11-14-28-30-25;1-32(2,3)13-12-30-17-28-23(10-11-26-28)19-5-9-24(25-15-19)31-21-7-8-22-18(14-21)4-6-20(16-29)27-22;8-4-1-7-2-5-9-6-3-7;/h5-11,14,17-19H,1-4,12-13,15-16H2,(H,28,30);4-11,14-16H,12-13,17H2,1-3H3;7H,1-6,8H2;1H/i;;;1+1
• InChIKey: GJUGHGRPZHEFRB-SGNQUONSSA-N
• XLogP: 12.37
• TPSA: 187.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.34
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?

The IUPAC name of deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde (CID 158277513) is deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde.

What is the SMILES notation for deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?

The canonical SMILES for deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde is C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.NCCC1CCOCC1.[H][2H].c1cc(-c2ccc(Oc3ccc4nc(CCCCC5CCOCC5)ccc4c3)nc2)[nH]n1.

What is the InChIKey of deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?

The InChIKey is GJUGHGRPZHEFRB-SGNQUONSSA-N. The full InChI is InChI=1S/C26H28N4O2.C24H26N4O3Si.C7H15NO.H2/c1(3-19-12-15-31-16-13-19)2-4-22-7-5-20-17-23(8-9-24(20)29-22)32-26-10-6-21(18-27-26)25-11-14-28-30-25;1-32(2,3)13-12-30-17-28-23(10-11-26-28)19-5-9-24(25-15-19)31-21-7-8-22-18(14-21)4-6-20(16-29)27-22;8-4-1-7-2-5-9-6-3-7;/h5-11,14,17-19H,1-4,12-13,15-16H2,(H,28,30);4-11,14-16H,12-13,17H2,1-3H3;7H,1-6,8H2;1H/i;;;1+1.

What are the key properties of deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?

deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde has a molecular weight of 1007.34 g/mol, XLogP of 12.37, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;2-[4-(oxan-4-yl)butyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline;2-(oxan-4-yl)ethanamine;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde is sourced from PubChem (CID 158277513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).