3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole

C₂₅H₂₂FN₃O — CID 69421781

About 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole

3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole (PubChem CID 69421781) has the molecular formula C₂₅H₂₂FN₃O and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole
• PubChem CID: 69421781
• Molecular Formula: C₂₅H₂₂FN₃O
• Molecular Weight: 399.47 g/mol
• Exact Mass: 399.17
• IUPAC Name: 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole
• SMILES: Fc1ccc(-c2nn(C3CCCCO3)c3ccc(C=Cc4ccncc4)cc23)cc1
• InChI: InChI=1S/C25H22FN3O/c26-21-9-7-20(8-10-21)25-22-17-19(5-4-18-12-14-27-15-13-18)6-11-23(22)29(28-25)24-3-1-2-16-30-24/h4-15,17,24H,1-3,16H2
• InChIKey: GULWQWPHQNRJBI-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.47
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole?

The IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole (CID 69421781) is 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole.

What is the SMILES notation for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole?

The canonical SMILES for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole is Fc1ccc(-c2nn(C3CCCCO3)c3ccc(C=Cc4ccncc4)cc23)cc1.

What is the InChIKey of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole?

The InChIKey is GULWQWPHQNRJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O/c26-21-9-7-20(8-10-21)25-22-17-19(5-4-18-12-14-27-15-13-18)6-11-23(22)29(28-25)24-3-1-2-16-30-24/h4-15,17,24H,1-3,16H2.

What are the key properties of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole?

3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole has a molecular weight of 399.47 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-4-ylethenyl)indazole is sourced from PubChem (CID 69421781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 69421781 — identifiers, structure, computed properties (public domain)

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