deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde

C115H134N18O11Si3 — CID 158609056

About deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde

deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde (PubChem CID 158609056) has the molecular formula C115H134N18O11Si3 and a molecular weight of 2029.72 g/mol. Its IUPAC name is deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde.

Molecular Properties

• Compound Name: deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
• PubChem CID: 158609056
• Molecular Formula: C115H134N18O11Si3
• Molecular Weight: 2029.72 g/mol
• Exact Mass: 2027.99
• IUPAC Name: deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
• SMILES: C.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCN(C(=O)OCC5c6ccccc6-c6ccccc65)CC4)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCNCC4)ccc3c2)nc1.O=C(OCC1c2ccccc2-c2ccccc21)N1CCNCC1.[H][2H]
• InChI: InChI=1S/C43H46N6O4Si.C28H36N6O2Si.C24H26N4O3Si.C19H20N2O2.CH4.H2/c1-54(2,3)25-24-51-30-49-41(18-19-45-49)32-13-17-42(44-27-32)53-34-15-16-40-31(26-34)12-14-33(46-40)28-47-20-22-48(23-21-47)43(50)52-29-39-37-10-6-4-8-35(37)36-9-5-7-11-38(36)39;1-37(2,3)17-16-35-21-34-27(10-11-31-34)23-5-9-28(30-19-23)36-25-7-8-26-22(18-25)4-6-24(32-26)20-33-14-12-29-13-15-33;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;22-19(21-11-9-20-10-12-21)23-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18;;/h4-19,26-27,39H,20-25,28-30H2,1-3H3;4-11,18-19,29H,12-17,20-21H2,1-3H3;4-11,14-16H,12-13,17H2,1-3H3;1-8,18,20H,9-13H2;1H4;1H/i;;;;;1+1
• InChIKey: HWPGGPJEJCDZMH-PUQAOBSFSA-N
• XLogP: 22.80
• TPSA: 292.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.72
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

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;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?

The IUPAC name of deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde (CID 158609056) is deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde.

What is the SMILES notation for deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?

The canonical SMILES for deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde is C.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCN(C(=O)OCC5c6ccccc6-c6ccccc65)CC4)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCNCC4)ccc3c2)nc1.O=C(OCC1c2ccccc2-c2ccccc21)N1CCNCC1.[H][2H].

What is the InChIKey of deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?

The InChIKey is HWPGGPJEJCDZMH-PUQAOBSFSA-N. The full InChI is InChI=1S/C43H46N6O4Si.C28H36N6O2Si.C24H26N4O3Si.C19H20N2O2.CH4.H2/c1-54(2,3)25-24-51-30-49-41(18-19-45-49)32-13-17-42(44-27-32)53-34-15-16-40-31(26-34)12-14-33(46-40)28-47-20-22-48(23-21-47)43(50)52-29-39-37-10-6-4-8-35(37)36-9-5-7-11-38(36)39;1-37(2,3)17-16-35-21-34-27(10-11-31-34)23-5-9-28(30-19-23)36-25-7-8-26-22(18-25)4-6-24(32-26)20-33-14-12-29-13-15-33;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;22-19(21-11-9-20-10-12-21)23-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18;;/h4-19,26-27,39H,20-25,28-30H2,1-3H3;4-11,18-19,29H,12-17,20-21H2,1-3H3;4-11,14-16H,12-13,17H2,1-3H3;1-8,18,20H,9-13H2;1H4;1H/i;;;;;1+1.

What are the key properties of deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?

deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde has a molecular weight of 2029.72 g/mol, XLogP of 22.80, 33 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde is sourced from PubChem (CID 158609056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).