5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine

C24H26BrN3O4 — CID 155658227

About 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine

5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine (PubChem CID 155658227) has the molecular formula C24H26BrN3O4 and a molecular weight of 500.39 g/mol. Its IUPAC name is 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
• PubChem CID: 155658227
• Molecular Formula: C24H26BrN3O4
• Molecular Weight: 500.39 g/mol
• Exact Mass: 499.11
• IUPAC Name: 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
• SMILES: Brc1cccc(C2(CCOc3ccc(-c4ccnn4C4CCCCO4)nc3)OCCO2)c1
• InChI: InChI=1S/C24H26BrN3O4/c25-19-5-3-4-18(16-19)24(31-14-15-32-24)10-13-29-20-7-8-21(26-17-20)22-9-11-27-28(22)23-6-1-2-12-30-23/h3-5,7-9,11,16-17,23H,1-2,6,10,12-15H2
• InChIKey: HUUJSJFREYZCLC-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 67.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.39
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?

The IUPAC name of 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine (CID 155658227) is 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine.

What is the SMILES notation for 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?

The canonical SMILES for 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine is Brc1cccc(C2(CCOc3ccc(-c4ccnn4C4CCCCO4)nc3)OCCO2)c1.

What is the InChIKey of 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?

The InChIKey is HUUJSJFREYZCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O4/c25-19-5-3-4-18(16-19)24(31-14-15-32-24)10-13-29-20-7-8-21(26-17-20)22-9-11-27-28(22)23-6-1-2-12-30-23/h3-5,7-9,11,16-17,23H,1-2,6,10,12-15H2.

What are the key properties of 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine?

5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine has a molecular weight of 500.39 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(3-bromophenyl)-1,3-dioxolan-2-yl]ethoxy]-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 155658227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).