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

C25H24ClFN8O2 — CID 177310818

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

4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile (PubChem CID 177310818) has the molecular formula C25H24ClFN8O2 and a molecular weight of 522.97 g/mol. Its IUPAC name is 4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile.

Molecular Properties

• Compound Name: 4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile
• PubChem CID: 177310818
• Molecular Formula: C25H24ClFN8O2
• Molecular Weight: 522.97 g/mol
• Exact Mass: 522.17
• IUPAC Name: 4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile
• SMILES: N#CN1CCC(n2nnc(-c3cc(O[C@H](CO)c4ccc(F)cn4)c4c(Cl)cnn4c3)c2C2CC2)CC1
• InChI: InChI=1S/C25H24ClFN8O2/c26-19-11-30-34-12-16(9-21(25(19)34)37-22(13-36)20-4-3-17(27)10-29-20)23-24(15-1-2-15)35(32-31-23)18-5-7-33(14-28)8-6-18/h3-4,9-12,15,18,22,36H,1-2,5-8,13H2/t22-/m1/s1
• InChIKey: UYJNTHLPLBGCLI-JOCHJYFZSA-N
• XLogP: 3.89
• TPSA: 117.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.97
LogP ≤ 5	3.89
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-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile?

The IUPAC name of 4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile (CID 177310818) is 4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile.

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

The canonical SMILES for 4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile is N#CN1CCC(n2nnc(-c3cc(O[C@H](CO)c4ccc(F)cn4)c4c(Cl)cnn4c3)c2C2CC2)CC1.

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

The InChIKey is UYJNTHLPLBGCLI-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24ClFN8O2/c26-19-11-30-34-12-16(9-21(25(19)34)37-22(13-36)20-4-3-17(27)10-29-20)23-24(15-1-2-15)35(32-31-23)18-5-7-33(14-28)8-6-18/h3-4,9-12,15,18,22,36H,1-2,5-8,13H2/t22-/m1/s1.

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

4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile has a molecular weight of 522.97 g/mol, XLogP of 3.89, 7 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-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile is sourced from PubChem (CID 177310818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).