deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone

C86H110N18O9Si2 — CID 159238039

About deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone

deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 159238039) has the molecular formula C86H110N18O9Si2 and a molecular weight of 1597.12 g/mol. Its IUPAC name is deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone
• PubChem CID: 159238039
• Molecular Formula: C86H110N18O9Si2
• Molecular Weight: 1597.12 g/mol
• Exact Mass: 1595.83
• IUPAC Name: deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone
• SMILES: C.C.CC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1.CC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc3n2)CC1.CC(=O)N1CCNCC1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.[H][2H]
• InChI: InChI=1S/C30H38N6O3Si.C24H24N6O2.C24H26N4O3Si.C6H12N2O.2CH4.H2/c1-23(37)35-15-13-34(14-16-35)21-26-7-5-24-19-27(8-9-28(24)33-26)39-30-10-6-25(20-31-30)29-11-12-32-36(29)22-38-17-18-40(2,3)4;1-17(31)30-12-10-29(11-13-30)16-20-4-2-18-14-21(5-6-22(18)27-20)32-24-7-3-19(15-25-24)23-8-9-26-28-23;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;1-6(9)8-4-2-7-3-5-8;;;/h5-12,19-20H,13-18,21-22H2,1-4H3;2-9,14-15H,10-13,16H2,1H3,(H,26,28);4-11,14-16H,12-13,17H2,1-3H3;7H,2-5H2,1H3;2*1H4;1H/i;;;;;;1+1
• InChIKey: KTSPFXRAECBAPF-KTTJZPQESA-N
• XLogP: 15.10
• TPSA: 284.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1597.12
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone?

The IUPAC name of deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone (CID 159238039) is deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone?

The canonical SMILES for deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone is C.C.CC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)CC1.CC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc3n2)CC1.CC(=O)N1CCNCC1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.[H][2H].

What is the InChIKey of deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone?

The InChIKey is KTSPFXRAECBAPF-KTTJZPQESA-N. The full InChI is InChI=1S/C30H38N6O3Si.C24H24N6O2.C24H26N4O3Si.C6H12N2O.2CH4.H2/c1-23(37)35-15-13-34(14-16-35)21-26-7-5-24-19-27(8-9-28(24)33-26)39-30-10-6-25(20-31-30)29-11-12-32-36(29)22-38-17-18-40(2,3)4;1-17(31)30-12-10-29(11-13-30)16-20-4-2-18-14-21(5-6-22(18)27-20)32-24-7-3-19(15-25-24)23-8-9-26-28-23;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;1-6(9)8-4-2-7-3-5-8;;;/h5-12,19-20H,13-18,21-22H2,1-4H3;2-9,14-15H,10-13,16H2,1H3,(H,26,28);4-11,14-16H,12-13,17H2,1-3H3;7H,2-5H2,1H3;2*1H4;1H/i;;;;;;1+1.

What are the key properties of deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone?

deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 1597.12 g/mol, XLogP of 15.10, 24 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159238039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).