2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

C₂₇H₂₀ClN₅O — CID 155675530

About 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole

2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (PubChem CID 155675530) has the molecular formula C₂₇H₂₀ClN₅O and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
• PubChem CID: 155675530
• Molecular Formula: C₂₇H₂₀ClN₅O
• Molecular Weight: 465.94 g/mol
• Exact Mass: 465.14
• IUPAC Name: 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
• SMILES: Cc1cc(C)n(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(Cl)n2)n1
• InChI: InChI=1S/C27H20ClN5O/c1-17-13-18(2)33(31-17)27-16-20(15-25(28)30-27)34-19-10-11-22-21-7-3-4-8-23(21)32(24(22)14-19)26-9-5-6-12-29-26/h3-16H,1-2H3
• InChIKey: YEAVNHHUGGHGKT-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.94
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?

The IUPAC name of 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole (CID 155675530) is 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole.

What is the SMILES notation for 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?

The canonical SMILES for 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is Cc1cc(C)n(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(Cl)n2)n1.

What is the InChIKey of 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?

The InChIKey is YEAVNHHUGGHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN5O/c1-17-13-18(2)33(31-17)27-16-20(15-25(28)30-27)34-19-10-11-22-21-7-3-4-8-23(21)32(24(22)14-19)26-9-5-6-12-29-26/h3-16H,1-2H3.

What are the key properties of 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole?

2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole has a molecular weight of 465.94 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 155675530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155675530 — identifiers, structure, computed properties (public domain)

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