6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H26N8O2 — CID 134436681

About 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436681) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436681
• Molecular Formula: C25H26N8O2
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.22
• IUPAC Name: 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COCCOc1cc(-c2ccc(N3CCN(Cc4ncccn4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C25H26N8O2/c1-34-11-12-35-21-13-22(25-20(14-26)16-30-33(25)17-21)19-3-4-24(29-15-19)32-9-7-31(8-10-32)18-23-27-5-2-6-28-23/h2-6,13,15-17H,7-12,18H2,1H3
• InChIKey: NXDHUDPIXXKEIU-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 104.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436681) is 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COCCOc1cc(-c2ccc(N3CCN(Cc4ncccn4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is NXDHUDPIXXKEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-34-11-12-35-21-13-22(25-20(14-26)16-30-33(25)17-21)19-3-4-24(29-15-19)32-9-7-31(8-10-32)18-23-27-5-2-6-28-23/h2-6,13,15-17H,7-12,18H2,1H3.

What are the key properties of 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 470.54 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).