6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C17H18N6O2 — CID 155405921

About 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155405921) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 155405921
• Molecular Formula: C17H18N6O2
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.15
• IUPAC Name: 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CNc1cnc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
• InChI: InChI=1S/C17H18N6O2/c1-17(2,24)10-25-12-4-13(14-7-21-15(19-3)8-20-14)16-11(5-18)6-22-23(16)9-12/h4,6-9,24H,10H2,1-3H3,(H,19,21)
• InChIKey: ZCOZYBIAONHYJT-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 108.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155405921) is 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CNc1cnc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1.

What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ZCOZYBIAONHYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-17(2,24)10-25-12-4-13(14-7-21-15(19-3)8-20-14)16-11(5-18)6-22-23(16)9-12/h4,6-9,24H,10H2,1-3H3,(H,19,21).

What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 338.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155405921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).