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

C₂₉H₂₉N₇O₂ — CID 126740048

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

(2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 126740048) has the molecular formula C₂₉H₂₉N₇O₂ and a molecular weight of 507.60 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-methylphenyl)-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-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• PubChem CID: 126740048
• Molecular Formula: C₂₉H₂₉N₇O₂
• Molecular Weight: 507.60 g/mol
• Exact Mass: 507.24
• IUPAC Name: (2R)-2-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone
• SMILES: Cc1ccc([C@@H](O)C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5nccc45)cn3)CC2)cc1
• InChI: InChI=1S/C29H29N7O2/c1-20-3-5-21(6-4-20)28(37)29(38)35-13-11-34(12-14-35)27-8-7-22(16-30-27)25-15-23(24-17-32-33(2)18-24)19-36-26(25)9-10-31-36/h3-10,15-19,28,37H,11-14H2,1-2H3/t28-/m1/s1
• InChIKey: XWDBUNBSYLAEIX-MUUNZHRXSA-N
• XLogP: 3.49
• 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	507.60
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-methylphenyl)-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-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 126740048) is (2R)-2-hydroxy-2-(4-methylphenyl)-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-hydroxy-2-(4-methylphenyl)-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-hydroxy-2-(4-methylphenyl)-1-[4-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethanone is Cc1ccc([C@@H](O)C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5nccc45)cn3)CC2)cc1.

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

The InChIKey is XWDBUNBSYLAEIX-MUUNZHRXSA-N. The full InChI is InChI=1S/C29H29N7O2/c1-20-3-5-21(6-4-20)28(37)29(38)35-13-11-34(12-14-35)27-8-7-22(16-30-27)25-15-23(24-17-32-33(2)18-24)19-36-26(25)9-10-31-36/h3-10,15-19,28,37H,11-14H2,1-2H3/t28-/m1/s1.

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

(2R)-2-hydroxy-2-(4-methylphenyl)-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 507.60 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-hydroxy-2-(4-methylphenyl)-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 126740048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126740048 — identifiers, structure, computed properties (public domain)

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