2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C24H26N8O — CID 158449530

About 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 158449530) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
• PubChem CID: 158449530
• Molecular Formula: C24H26N8O
• Molecular Weight: 442.53 g/mol
• Exact Mass: 442.22
• IUPAC Name: 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
• SMILES: CC1CC(C)CN(c2ncnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)C1
• InChI: InChI=1S/C24H26N8O/c1-16-9-17(2)13-32(12-16)24-19-5-8-31(23(19)28-15-29-24)14-22(33)30-21-4-3-18(10-27-21)20-11-25-6-7-26-20/h3-8,10-11,15-17H,9,12-14H2,1-2H3,(H,27,30,33)
• InChIKey: QLPNNHFIIHEPTL-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 101.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.53
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The IUPAC name of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 158449530) is 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The canonical SMILES for 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is CC1CC(C)CN(c2ncnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)C1.

What is the InChIKey of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The InChIKey is QLPNNHFIIHEPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-16-9-17(2)13-32(12-16)24-19-5-8-31(23(19)28-15-29-24)14-22(33)30-21-4-3-18(10-27-21)20-11-25-6-7-26-20/h3-8,10-11,15-17H,9,12-14H2,1-2H3,(H,27,30,33).

What are the key properties of 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 442.53 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-dimethylpiperidin-1-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 158449530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).