4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile

C24H24ClFN8O2 — CID 164920336

About 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile

4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile (PubChem CID 164920336) has the molecular formula C24H24ClFN8O2 and a molecular weight of 510.96 g/mol. Its IUPAC name is 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
• PubChem CID: 164920336
• Molecular Formula: C24H24ClFN8O2
• Molecular Weight: 510.96 g/mol
• Exact Mass: 510.17
• IUPAC Name: 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
• SMILES: Cc1c(-c2cc(OCC(C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C#N)CC1
• InChI: InChI=1S/C24H24ClFN8O2/c1-15-22(30-31-34(15)18-5-7-32(14-27)8-6-18)16-9-20(23-19(25)11-29-33(23)12-16)36-13-24(2,35)21-4-3-17(26)10-28-21/h3-4,9-12,18,35H,5-8,13H2,1-2H3
• InChIKey: DWNJQGQQIMPAET-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 117.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.96
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile?

The IUPAC name of 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile (CID 164920336) is 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile.

What is the SMILES notation for 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile?

The canonical SMILES for 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile is Cc1c(-c2cc(OCC(C)(O)c3ccc(F)cn3)c3c(Cl)cnn3c2)nnn1C1CCN(C#N)CC1.

What is the InChIKey of 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile?

The InChIKey is DWNJQGQQIMPAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN8O2/c1-15-22(30-31-34(15)18-5-7-32(14-27)8-6-18)16-9-20(23-19(25)11-29-33(23)12-16)36-13-24(2,35)21-4-3-17(26)10-28-21/h3-4,9-12,18,35H,5-8,13H2,1-2H3.

What are the key properties of 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile?

4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile has a molecular weight of 510.96 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile is sourced from PubChem (CID 164920336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).