2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C24H25N7O2 — CID 121280736

About 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280736) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
• PubChem CID: 121280736
• Molecular Formula: C24H25N7O2
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.21
• IUPAC Name: 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
• SMILES: CC1CN(c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)CC(C)O1
• InChI: InChI=1S/C24H25N7O2/c1-16-13-31(14-17(2)33-16)21-5-7-27-24-19(21)6-10-30(24)15-23(32)29-22-4-3-18(11-28-22)20-12-25-8-9-26-20/h3-12,16-17H,13-15H2,1-2H3,(H,28,29,32)
• InChIKey: WUWXTXFTOFLZMY-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 98.06 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	443.51
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The IUPAC name of 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280736) is 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The canonical SMILES for 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is CC1CN(c2ccnc3c2ccn3CC(=O)Nc2ccc(-c3cnccn3)cn2)CC(C)O1.

What is the InChIKey of 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

The InChIKey is WUWXTXFTOFLZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-16-13-31(14-17(2)33-16)21-5-7-27-24-19(21)6-10-30(24)15-23(32)29-22-4-3-18(11-28-22)20-12-25-8-9-26-20/h3-12,16-17H,13-15H2,1-2H3,(H,28,29,32).

What are the key properties of 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?

2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 443.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,6-dimethylmorpholin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).