2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone

C24H28N6O3 — CID 166328151

About 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone

2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone (PubChem CID 166328151) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone
• PubChem CID: 166328151
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone
• SMILES: O=C(Cc1cncc(O)c1)N1CCCC(C2CCCN(C(=O)c3cnc4[nH]ccc4n3)C2)C1
• InChI: InChI=1S/C24H28N6O3/c31-19-9-16(11-25-12-19)10-22(32)29-7-1-3-17(14-29)18-4-2-8-30(15-18)24(33)21-13-27-23-20(28-21)5-6-26-23/h5-6,9,11-13,17-18,31H,1-4,7-8,10,14-15H2,(H,26,27)
• InChIKey: ROUXOOPQIWAMKZ-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 115.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone (CID 166328151) is 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone is O=C(Cc1cncc(O)c1)N1CCCC(C2CCCN(C(=O)c3cnc4[nH]ccc4n3)C2)C1.

What is the InChIKey of 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone?

The InChIKey is ROUXOOPQIWAMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c31-19-9-16(11-25-12-19)10-22(32)29-7-1-3-17(14-29)18-4-2-8-30(15-18)24(33)21-13-27-23-20(28-21)5-6-26-23/h5-6,9,11-13,17-18,31H,1-4,7-8,10,14-15H2,(H,26,27).

What are the key properties of 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone?

2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 448.53 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166328151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).