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

C24H25N7O3 — CID 70847818

About N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-methyl-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-methyl-2-pyridinyl)acetamide (PubChem CID 70847818) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 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-methyl-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-methyl-2-pyridinyl)acetamide
• PubChem CID: 70847818
• Molecular Formula: C24H25N7O3
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.20
• IUPAC Name: N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-methyl-2-pyridinyl)acetamide
• SMILES: Cc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)(C)CO)c4nc(N)ncc34)c2)nc1
• InChI: InChI=1S/C24H25N7O3/c1-14-4-5-16(27-8-14)7-20(33)29-17-6-15(9-26-10-17)21(34)19-12-31(24(2,3)13-32)22-18(19)11-28-23(25)30-22/h4-6,8-12,32H,7,13H2,1-3H3,(H,29,33)(H2,25,28,30)
• InChIKey: GOFLWRNHTPPUEU-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 148.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-methyl-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-methyl-2-pyridinyl)acetamide (CID 70847818) is N-[5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(5-methyl-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-methyl-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-methyl-2-pyridinyl)acetamide is Cc1ccc(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-methyl-2-pyridinyl)acetamide?

The InChIKey is GOFLWRNHTPPUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-14-4-5-16(27-8-14)7-20(33)29-17-6-15(9-26-10-17)21(34)19-12-31(24(2,3)13-32)22-18(19)11-28-23(25)30-22/h4-6,8-12,32H,7,13H2,1-3H3,(H,29,33)(H2,25,28,30).

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-methyl-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-methyl-2-pyridinyl)acetamide has a molecular weight of 459.51 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 9 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-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 70847818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).