N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

C29H40N8O3Si — CID 70817996

About N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 70817996) has the molecular formula C29H40N8O3Si and a molecular weight of 576.78 g/mol. Its IUPAC name is N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
• PubChem CID: 70817996
• Molecular Formula: C29H40N8O3Si
• Molecular Weight: 576.78 g/mol
• Exact Mass: 576.30
• IUPAC Name: N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
• SMILES: CC(C)c1cn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)(C)CO[Si](C)(C)C(C)(C)C)c4ncncc34)c2)nn1
• InChI: InChI=1S/C29H40N8O3Si/c1-19(2)24-15-36(35-34-24)16-25(38)33-21-10-20(11-30-12-21)26(39)23-14-37(27-22(23)13-31-18-32-27)29(6,7)17-40-41(8,9)28(3,4)5/h10-15,18-19H,16-17H2,1-9H3,(H,33,38)
• InChIKey: DJWCPLWEDQQPGL-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 129.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.78
LogP ≤ 5	5.17
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-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?

The IUPAC name of N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 70817996) is N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

What is the SMILES notation for N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?

The canonical SMILES for N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is CC(C)c1cn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)(C)CO[Si](C)(C)C(C)(C)C)c4ncncc34)c2)nn1.

What is the InChIKey of N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?

The InChIKey is DJWCPLWEDQQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N8O3Si/c1-19(2)24-15-36(35-34-24)16-25(38)33-21-10-20(11-30-12-21)26(39)23-14-37(27-22(23)13-31-18-32-27)29(6,7)17-40-41(8,9)28(3,4)5/h10-15,18-19H,16-17H2,1-9H3,(H,33,38).

What are the key properties of N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?

N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 576.78 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[7-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 70817996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).