(2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol

C20H26N4O2 — CID 71157493

About (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol

(2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol (PubChem CID 71157493) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
• PubChem CID: 71157493
• Molecular Formula: C20H26N4O2
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.21
• IUPAC Name: (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
• SMILES: CCOc1ccc(-c2nc3c(nc2C)c([C@H](C)CO)cn3C)c(CC)n1
• InChI: InChI=1S/C20H26N4O2/c1-6-16-14(8-9-17(22-16)26-7-2)18-13(4)21-19-15(12(3)11-25)10-24(5)20(19)23-18/h8-10,12,25H,6-7,11H2,1-5H3/t12-/m1/s1
• InChIKey: LBBDHPVSOOZUPN-GFCCVEGCSA-N
• XLogP: 3.40
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?

The IUPAC name of (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol (CID 71157493) is (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol.

What is the SMILES notation for (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?

The canonical SMILES for (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol is CCOc1ccc(-c2nc3c(nc2C)c([C@H](C)CO)cn3C)c(CC)n1.

What is the InChIKey of (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?

The InChIKey is LBBDHPVSOOZUPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-6-16-14(8-9-17(22-16)26-7-2)18-13(4)21-19-15(12(3)11-25)10-24(5)20(19)23-18/h8-10,12,25H,6-7,11H2,1-5H3/t12-/m1/s1.

What are the key properties of (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol?

(2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol has a molecular weight of 354.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol is sourced from PubChem (CID 71157493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).