N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide

C31H44N6O4SSi — CID 59279457

About N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide

N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide (PubChem CID 59279457) has the molecular formula C31H44N6O4SSi and a molecular weight of 624.88 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide.

Molecular Properties

• Compound Name: N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide
• PubChem CID: 59279457
• Molecular Formula: C31H44N6O4SSi
• Molecular Weight: 624.88 g/mol
• Exact Mass: 624.29
• IUPAC Name: N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide
• SMILES: Cc1ccc(NC(=O)C(COC(C)CO[Si](C(C)C)(C(C)C)C(C)C)Oc2ncnc3c2cnn3-c2cscc2C)nc1
• InChI: InChI=1S/C31H44N6O4SSi/c1-19(2)43(20(3)4,21(5)6)40-14-24(9)39-15-27(30(38)36-28-11-10-22(7)12-32-28)41-31-25-13-35-37(29(25)33-18-34-31)26-17-42-16-23(26)8/h10-13,16-21,24,27H,14-15H2,1-9H3,(H,32,36,38)
• InChIKey: MUJVHCRPUBKLBA-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 113.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.88
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide?

The IUPAC name of N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide (CID 59279457) is N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide.

What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide?

The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide is Cc1ccc(NC(=O)C(COC(C)CO[Si](C(C)C)(C(C)C)C(C)C)Oc2ncnc3c2cnn3-c2cscc2C)nc1.

What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide?

The InChIKey is MUJVHCRPUBKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N6O4SSi/c1-19(2)43(20(3)4,21(5)6)40-14-24(9)39-15-27(30(38)36-28-11-10-22(7)12-32-28)41-31-25-13-35-37(29(25)33-18-34-31)26-17-42-16-23(26)8/h10-13,16-21,24,27H,14-15H2,1-9H3,(H,32,36,38).

What are the key properties of N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide?

N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide has a molecular weight of 624.88 g/mol, XLogP of 6.87, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-2-pyridinyl)-2-[1-(4-methylthiophen-3-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[1-tri(propan-2-yl)silyloxypropan-2-yloxy]propanamide is sourced from PubChem (CID 59279457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).