N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide

C25H27N7O4 — CID 90684003

About N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide

N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide (PubChem CID 90684003) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide
• PubChem CID: 90684003
• Molecular Formula: C25H27N7O4
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.21
• IUPAC Name: N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide
• SMILES: CCOc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)(C)CO)c4nc(N)ncc34)c2)nc1
• InChI: InChI=1S/C25H27N7O4/c1-4-36-18-6-5-16(28-11-18)8-21(34)30-17-7-15(9-27-10-17)22(35)20-13-32(25(2,3)14-33)23-19(20)12-29-24(26)31-23/h5-7,9-13,33H,4,8,14H2,1-3H3,(H,30,34)(H2,26,29,31)
• InChIKey: ZARZLOITIWLTHT-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 158.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide?

The IUPAC name of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide (CID 90684003) is N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide.

What is the SMILES notation for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide?

The canonical SMILES for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide is CCOc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)(C)CO)c4nc(N)ncc34)c2)nc1.

What is the InChIKey of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide?

The InChIKey is ZARZLOITIWLTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-4-36-18-6-5-16(28-11-18)8-21(34)30-17-7-15(9-27-10-17)22(35)20-13-32(25(2,3)14-33)23-19(20)12-29-24(26)31-23/h5-7,9-13,33H,4,8,14H2,1-3H3,(H,30,34)(H2,26,29,31).

What are the key properties of N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide?

N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide has a molecular weight of 489.54 g/mol, XLogP of 2.34, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-ethoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 90684003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).