2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile

C26H25N5O2 — CID 59495027

About 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile

2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile (PubChem CID 59495027) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
• PubChem CID: 59495027
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1O
• InChI: InChI=1S/C26H25N5O2/c27-15-21-5-4-20(14-25(21)32)24-17-29-31-18-22(16-28-26(24)31)19-6-8-23(9-7-19)33-13-12-30-10-2-1-3-11-30/h4-9,14,16-18,32H,1-3,10-13H2
• InChIKey: MHPYRUKKQCKVCM-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 86.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile?

The IUPAC name of 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile (CID 59495027) is 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile.

What is the SMILES notation for 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile?

The canonical SMILES for 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile is N#Cc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1O.

What is the InChIKey of 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile?

The InChIKey is MHPYRUKKQCKVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c27-15-21-5-4-20(14-25(21)32)24-17-29-31-18-22(16-28-26(24)31)19-6-8-23(9-7-19)33-13-12-30-10-2-1-3-11-30/h4-9,14,16-18,32H,1-3,10-13H2.

What are the key properties of 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile?

2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile has a molecular weight of 439.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile is sourced from PubChem (CID 59495027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).