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

C26H26FN7O2 — CID 134436741

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

4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436741) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 134436741
• Molecular Formula: C26H26FN7O2
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.21
• IUPAC Name: 4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COCCOc1cc(-c2ccc(N3CCN(Cc4ccc(F)cn4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C26H26FN7O2/c1-35-10-11-36-23-12-24(26-20(13-28)15-31-34(26)18-23)19-2-5-25(30-14-19)33-8-6-32(7-9-33)17-22-4-3-21(27)16-29-22/h2-5,12,14-16,18H,6-11,17H2,1H3
• InChIKey: LSOCGMWBEBUFDL-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 91.81 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436741) is 4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is COCCOc1cc(-c2ccc(N3CCN(Cc4ccc(F)cn4)CC3)nc2)c2c(C#N)cnn2c1.

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

The InChIKey is LSOCGMWBEBUFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-35-10-11-36-23-12-24(26-20(13-28)15-31-34(26)18-23)19-2-5-25(30-14-19)33-8-6-32(7-9-33)17-22-4-3-21(27)16-29-22/h2-5,12,14-16,18H,6-11,17H2,1H3.

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

4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 487.54 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-methoxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).