deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C83H95N15O10Si2 — CID 158730178

About deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 158730178) has the molecular formula C83H95N15O10Si2 and a molecular weight of 1519.95 g/mol. Its IUPAC name is deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 158730178
• Molecular Formula: C83H95N15O10Si2
• Molecular Weight: 1519.95 g/mol
• Exact Mass: 1518.70
• IUPAC Name: deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCC(N5CCOC5=O)CC4)ccc3c2)nc1.O=C1OCCN1C1CCN(Cc2ccc3cc(Oc4ccc(C5=CC=NC5)cn4)ccc3n2)CC1.[H][2H]
• InChI: InChI=1S/C32H40N6O4Si.C27H27N5O3.C24H26N4O3Si.H2/c1-43(2,3)19-18-40-23-38-30(10-13-34-38)25-5-9-31(33-21-25)42-28-7-8-29-24(20-28)4-6-26(35-29)22-36-14-11-27(12-15-36)37-16-17-41-32(37)39;33-27-32(13-14-34-27)23-8-11-31(12-9-23)18-22-3-1-19-15-24(4-5-25(19)30-22)35-26-6-2-20(17-29-26)21-7-10-28-16-21;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;/h4-10,13,20-21,27H,11-12,14-19,22-23H2,1-3H3;1-7,10,15,17,23H,8-9,11-14,16,18H2;4-11,14-16H,12-13,17H2,1-3H3;1H/i;;;1+1
• InChIKey: IKZLYOZTRFSYST-SGNQUONSSA-N
• XLogP: 15.98
• TPSA: 254.12 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1519.95
LogP ≤ 5	15.98
H-Bond Donors ≤ 5	0
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;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?

The IUPAC name of deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 158730178) is deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CN4CCC(N5CCOC5=O)CC4)ccc3c2)nc1.O=C1OCCN1C1CCN(Cc2ccc3cc(Oc4ccc(C5=CC=NC5)cn4)ccc3n2)CC1.[H][2H].

What is the InChIKey of deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?

The InChIKey is IKZLYOZTRFSYST-SGNQUONSSA-N. The full InChI is InChI=1S/C32H40N6O4Si.C27H27N5O3.C24H26N4O3Si.H2/c1-43(2,3)19-18-40-23-38-30(10-13-34-38)25-5-9-31(33-21-25)42-28-7-8-29-24(20-28)4-6-26(35-29)22-36-14-11-27(12-15-36)37-16-17-41-32(37)39;33-27-32(13-14-34-27)23-8-11-31(12-9-23)18-22-3-1-19-15-24(4-5-25(19)30-22)35-26-6-2-20(17-29-26)21-7-10-28-16-21;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;/h4-10,13,20-21,27H,11-12,14-19,22-23H2,1-3H3;1-7,10,15,17,23H,8-9,11-14,16,18H2;4-11,14-16H,12-13,17H2,1-3H3;1H/i;;;1+1.

What are the key properties of deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?

deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 1519.95 g/mol, XLogP of 15.98, 26 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;3-[1-[[6-[[5-(2H-pyrrol-3-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;3-[1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158730178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).