3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole

C25H25F4N5 — CID 155776090

About 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole

3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole (PubChem CID 155776090) has the molecular formula C25H25F4N5 and a molecular weight of 471.50 g/mol. Its IUPAC name is 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole.

Molecular Properties

• Compound Name: 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole
• PubChem CID: 155776090
• Molecular Formula: C25H25F4N5
• Molecular Weight: 471.50 g/mol
• Exact Mass: 471.20
• IUPAC Name: 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole
• SMILES: Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2cnn(C(F)F)c2)c1
• InChI: InChI=1S/C25H25F4N5/c26-19-3-5-23-21(12-19)17(14-30-23)2-1-7-32-8-10-33(11-9-32)24-6-4-20(27)13-22(24)18-15-31-34(16-18)25(28)29/h3-6,12-16,25,30H,1-2,7-11H2
• InChIKey: NEAHOYLXWYBFPT-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 40.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.50
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole?

The IUPAC name of 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole (CID 155776090) is 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole.

What is the SMILES notation for 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole?

The canonical SMILES for 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole is Fc1ccc(N2CCN(CCCc3c[nH]c4ccc(F)cc34)CC2)c(-c2cnn(C(F)F)c2)c1.

What is the InChIKey of 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole?

The InChIKey is NEAHOYLXWYBFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N5/c26-19-3-5-23-21(12-19)17(14-30-23)2-1-7-32-8-10-33(11-9-32)24-6-4-20(27)13-22(24)18-15-31-34(16-18)25(28)29/h3-6,12-16,25,30H,1-2,7-11H2.

What are the key properties of 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole?

3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole has a molecular weight of 471.50 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[2-[1-(difluoromethyl)pyrazol-4-yl]-4-fluorophenyl]piperazin-1-yl]propyl]-5-fluoro-1H-indole is sourced from PubChem (CID 155776090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).