[2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate

C123H155N23O19Si3 — CID 158040624

About [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate

[2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate (PubChem CID 158040624) has the molecular formula C123H155N23O19Si3 and a molecular weight of 2345.00 g/mol. Its IUPAC name is [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate.

Molecular Properties

• Compound Name: [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate
• PubChem CID: 158040624
• Molecular Formula: C123H155N23O19Si3
• Molecular Weight: 2345.00 g/mol
• Exact Mass: 2343.12
• IUPAC Name: [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate
• SMILES: CC(=O)OCC(=O)N(C)C1CCCC1.CC(=O)OCC(=O)N(C)[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc3n2)C1.CN(C(=O)CO)[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)C1.CN(C(=O)CO)[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc3n2)C1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.O.[H][2H]
• InChI: InChI=1S/C33H42N6O5Si.C31H40N6O4Si.C25H26N6O3.C24H26N4O3Si.C10H17NO3.H2O.H2/c1-24(40)43-22-33(41)37(2)28-13-15-38(21-28)20-27-8-6-25-18-29(9-10-30(25)36-27)44-32-11-7-26(19-34-32)31-12-14-35-39(31)23-42-16-17-45(3,4)5;1-35(31(39)21-38)26-12-14-36(20-26)19-25-7-5-23-17-27(8-9-28(23)34-25)41-30-10-6-24(18-32-30)29-11-13-33-37(29)22-40-15-16-42(2,3)4;1-30(25(33)16-32)20-9-11-31(15-20)14-19-4-2-17-12-21(5-6-22(17)28-19)34-24-7-3-18(13-26-24)23-8-10-27-29-23;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;1-8(12)14-7-10(13)11(2)9-5-3-4-6-9;;/h6-12,14,18-19,28H,13,15-17,20-23H2,1-5H3;5-11,13,17-18,26,38H,12,14-16,19-22H2,1-4H3;2-8,10,12-13,20,32H,9,11,14-16H2,1H3,(H,27,29);4-11,14-16H,12-13,17H2,1-3H3;9H,3-7H2,1-2H3;1H2;1H/t28-;26-;20-;;;;/m111..../s1/i;;;;;;1+1
• InChIKey: CBCWJZCZRHJDKV-OYKOVFGGSA-N
• XLogP: 18.44
• TPSA: 482.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2345.00
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

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 [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate?

The IUPAC name of [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate (CID 158040624) is [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate.

What is the SMILES notation for [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate?

The canonical SMILES for [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate is CC(=O)OCC(=O)N(C)C1CCCC1.CC(=O)OCC(=O)N(C)[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc3n2)C1.CN(C(=O)CO)[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3n2)C1.CN(C(=O)CO)[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(-c5ccnn5COCC[Si](C)(C)C)cn4)ccc3n2)C1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.O.[H][2H].

What is the InChIKey of [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate?

The InChIKey is CBCWJZCZRHJDKV-OYKOVFGGSA-N. The full InChI is InChI=1S/C33H42N6O5Si.C31H40N6O4Si.C25H26N6O3.C24H26N4O3Si.C10H17NO3.H2O.H2/c1-24(40)43-22-33(41)37(2)28-13-15-38(21-28)20-27-8-6-25-18-29(9-10-30(25)36-27)44-32-11-7-26(19-34-32)31-12-14-35-39(31)23-42-16-17-45(3,4)5;1-35(31(39)21-38)26-12-14-36(20-26)19-25-7-5-23-17-27(8-9-28(23)34-25)41-30-10-6-24(18-32-30)29-11-13-33-37(29)22-40-15-16-42(2,3)4;1-30(25(33)16-32)20-9-11-31(15-20)14-19-4-2-17-12-21(5-6-22(17)28-19)34-24-7-3-18(13-26-24)23-8-10-27-29-23;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;1-8(12)14-7-10(13)11(2)9-5-3-4-6-9;;/h6-12,14,18-19,28H,13,15-17,20-23H2,1-5H3;5-11,13,17-18,26,38H,12,14-16,19-22H2,1-4H3;2-8,10,12-13,20,32H,9,11,14-16H2,1H3,(H,27,29);4-11,14-16H,12-13,17H2,1-3H3;9H,3-7H2,1-2H3;1H2;1H/t28-;26-;20-;;;;/m111..../s1/i;;;;;;1+1.

What are the key properties of [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate?

[2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate has a molecular weight of 2345.00 g/mol, XLogP of 18.44, 44 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[cyclopentyl(methyl)amino]-2-oxoethyl] acetate;deuterium monohydride;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;2-hydroxy-N-methyl-N-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]acetamide;[2-[methyl-[(3R)-1-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]pyrrolidin-3-yl]amino]-2-oxoethyl] acetate;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;hydrate is sourced from PubChem (CID 158040624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).