(2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide

C39H41ClN6O4Si — CID 91455370

About (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide

(2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 91455370) has the molecular formula C39H41ClN6O4Si and a molecular weight of 721.33 g/mol. Its IUPAC name is (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide
• PubChem CID: 91455370
• Molecular Formula: C39H41ClN6O4Si
• Molecular Weight: 721.33 g/mol
• Exact Mass: 720.26
• IUPAC Name: (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide
• SMILES: Cc1ccc(NC(=O)[C@H](COCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)Oc2nc(-c3cccc(Cl)c3C)nc3[nH]ncc23)nc1
• InChI: InChI=1S/C39H41ClN6O4Si/c1-26-19-20-34(41-23-26)43-37(47)33(50-38-31-24-42-46-36(31)44-35(45-38)30-17-12-18-32(40)27(30)2)25-48-21-22-49-51(39(3,4)5,28-13-8-6-9-14-28)29-15-10-7-11-16-29/h6-20,23-24,33H,21-22,25H2,1-5H3,(H,41,43,47)(H,42,44,45,46)/t33-/m0/s1
• InChIKey: IZMHAJNMNXRGMJ-XIFFEERXSA-N
• XLogP: 6.66
• TPSA: 124.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.33
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide?

The IUPAC name of (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide (CID 91455370) is (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide?

The canonical SMILES for (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)[C@H](COCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)Oc2nc(-c3cccc(Cl)c3C)nc3[nH]ncc23)nc1.

What is the InChIKey of (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide?

The InChIKey is IZMHAJNMNXRGMJ-XIFFEERXSA-N. The full InChI is InChI=1S/C39H41ClN6O4Si/c1-26-19-20-34(41-23-26)43-37(47)33(50-38-31-24-42-46-36(31)44-35(45-38)30-17-12-18-32(40)27(30)2)25-48-21-22-49-51(39(3,4)5,28-13-8-6-9-14-28)29-15-10-7-11-16-29/h6-20,23-24,33H,21-22,25H2,1-5H3,(H,41,43,47)(H,42,44,45,46)/t33-/m0/s1.

What are the key properties of (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide?

(2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 721.33 g/mol, XLogP of 6.66, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[[6-(3-chloro-2-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 91455370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).