6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23FN8O — CID 164920642

About 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 164920642) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 164920642
• Molecular Formula: C25H23FN8O
• Molecular Weight: 470.51 g/mol
• Exact Mass: 470.20
• IUPAC Name: 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1c(-c2cc(O[C@H](C)c3ncccc3F)c3c(C#N)cnn3c2)cnn1C1CCN(C#N)CC1
• InChI: InChI=1S/C25H23FN8O/c1-16-21(13-31-34(16)20-5-8-32(15-28)9-6-20)18-10-23(25-19(11-27)12-30-33(25)14-18)35-17(2)24-22(26)4-3-7-29-24/h3-4,7,10,12-14,17,20H,5-6,8-9H2,1-2H3/t17-/m1/s1
• InChIKey: GOQBRKXQWUTSOC-QGZVFWFLSA-N
• XLogP: 4.17
• TPSA: 108.06 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.51
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 164920642) is 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(O[C@H](C)c3ncccc3F)c3c(C#N)cnn3c2)cnn1C1CCN(C#N)CC1.

What is the InChIKey of 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is GOQBRKXQWUTSOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-16-21(13-31-34(16)20-5-8-32(15-28)9-6-20)18-10-23(25-19(11-27)12-30-33(25)14-18)35-17(2)24-22(26)4-3-7-29-24/h3-4,7,10,12-14,17,20H,5-6,8-9H2,1-2H3/t17-/m1/s1.

What are the key properties of 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 470.51 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).