(2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone

C28H26FN7O2 — CID 126740416

About (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone

(2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 126740416) has the molecular formula C28H26FN7O2 and a molecular weight of 511.56 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 126740416
• Molecular Formula: C28H26FN7O2
• Molecular Weight: 511.56 g/mol
• Exact Mass: 511.21
• IUPAC Name: (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5F)CC4)nc3)c3ccnn3c2)cn1
• InChI: InChI=1S/C28H26FN7O2/c1-33-17-21(16-32-33)20-14-23(25-8-9-31-36(25)18-20)19-6-7-26(30-15-19)34-10-12-35(13-11-34)28(38)27(37)22-4-2-3-5-24(22)29/h2-9,14-18,27,37H,10-13H2,1H3/t27-/m1/s1
• InChIKey: BBVDGSKBHSQGAS-HHHXNRCGSA-N
• XLogP: 3.32
• TPSA: 91.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.56
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The IUPAC name of (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 126740416) is (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone.

What is the SMILES notation for (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The canonical SMILES for (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5F)CC4)nc3)c3ccnn3c2)cn1.

What is the InChIKey of (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

The InChIKey is BBVDGSKBHSQGAS-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H26FN7O2/c1-33-17-21(16-32-33)20-14-23(25-8-9-31-36(25)18-20)19-6-7-26(30-15-19)34-10-12-35(13-11-34)28(38)27(37)22-4-2-3-5-24(22)29/h2-9,14-18,27,37H,10-13H2,1H3/t27-/m1/s1.

What are the key properties of (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone?

(2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 511.56 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(2-fluorophenyl)-2-hydroxy-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126740416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).