3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile

C77H86N16O6Si2 — CID 160944470

About 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile

3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile (PubChem CID 160944470) has the molecular formula C77H86N16O6Si2 and a molecular weight of 1388.82 g/mol. Its IUPAC name is 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile.

Molecular Properties

• Compound Name: 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile
• PubChem CID: 160944470
• Molecular Formula: C77H86N16O6Si2
• Molecular Weight: 1388.82 g/mol
• Exact Mass: 1387.65
• IUPAC Name: 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile
• SMILES: C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CCCCC#N)ccc3c2)nc1.N#CCCCCc1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1.N#CCCN.[H][2H]
• InChI: InChI=1S/C28H33N5O2Si.C24H26N4O3Si.C22H19N5O.C3H6N2.H2/c1-36(2,3)18-17-34-21-33-27(14-16-31-33)23-9-13-28(30-20-23)35-25-11-12-26-22(19-25)8-10-24(32-26)7-5-4-6-15-29;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;23-12-3-1-2-4-18-7-5-16-14-19(8-9-20(16)26-18)28-22-10-6-17(15-24-22)21-11-13-25-27-21;4-2-1-3-5;/h8-14,16,19-20H,4-7,17-18,21H2,1-3H3;4-11,14-16H,12-13,17H2,1-3H3;5-11,13-15H,1-4H2,(H,25,27);1-2,4H2;1H/i;;;;1+1
• InChIKey: SUXWYEIIXKPYDO-RCUQKECRSA-N
• XLogP: 17.40
• TPSA: 302.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1388.82
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

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 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile?

The IUPAC name of 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile (CID 160944470) is 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile.

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

The canonical SMILES for 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile is C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nc(CCCCC#N)ccc3c2)nc1.N#CCCCCc1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1.N#CCCN.[H][2H].

What is the InChIKey of 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile?

The InChIKey is SUXWYEIIXKPYDO-RCUQKECRSA-N. The full InChI is InChI=1S/C28H33N5O2Si.C24H26N4O3Si.C22H19N5O.C3H6N2.H2/c1-36(2,3)18-17-34-21-33-27(14-16-31-33)23-9-13-28(30-20-23)35-25-11-12-26-22(19-25)8-10-24(32-26)7-5-4-6-15-29;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;23-12-3-1-2-4-18-7-5-16-14-19(8-9-20(16)26-18)28-22-10-6-17(15-24-22)21-11-13-25-27-21;4-2-1-3-5;/h8-14,16,19-20H,4-7,17-18,21H2,1-3H3;4-11,14-16H,12-13,17H2,1-3H3;5-11,13-15H,1-4H2,(H,25,27);1-2,4H2;1H/i;;;;1+1.

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

3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile has a molecular weight of 1388.82 g/mol, XLogP of 17.40, 29 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminopropanenitrile;deuterium monohydride;5-[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde;5-[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]pentanenitrile is sourced from PubChem (CID 160944470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).