4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole

C25H24FN3 — CID 170158290

IUPAC4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole
SMILESCc1ccc(F)c2ccn(-c3cccc(N4CCN(c5ccccc5)CC4)c3)c12
InChIInChI=1S/C25H24FN3/c1-19-10-11-24(26)23-12-13-29(25(19)23)22-9-5-8-21(18-22)28-16-14-27(15-17-28)20-6-3-2-4-7-20/h2-13,18H,14-17H2,1H3
InChIKeyATPYIIUOOLSBMI-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.40
Rot. Bonds3

About 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole

4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole (PubChem CID 170158290) has the molecular formula C25H24FN3 and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole.

Molecular Properties

Compound Name4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole
PubChem CID170158290
Molecular FormulaC25H24FN3
Molecular Weight385.49 g/mol
Exact Mass385.20
IUPAC Name4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole
SMILESCc1ccc(F)c2ccn(-c3cccc(N4CCN(c5ccccc5)CC4)c3)c12
InChIInChI=1S/C25H24FN3/c1-19-10-11-24(26)23-12-13-29(25(19)23)22-9-5-8-21(18-22)28-16-14-27(15-17-28)20-6-3-2-4-7-20/h2-13,18H,14-17H2,1H3
InChIKeyATPYIIUOOLSBMI-UHFFFAOYSA-N
XLogP5.40
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole?
The IUPAC name of 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole (CID 170158290) is 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole.
What is the SMILES notation for 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole?
The canonical SMILES for 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole is Cc1ccc(F)c2ccn(-c3cccc(N4CCN(c5ccccc5)CC4)c3)c12.
What is the InChIKey of 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole?
The InChIKey is ATPYIIUOOLSBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3/c1-19-10-11-24(26)23-12-13-29(25(19)23)22-9-5-8-21(18-22)28-16-14-27(15-17-28)20-6-3-2-4-7-20/h2-13,18H,14-17H2,1H3.
What are the key properties of 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole?
4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole has a molecular weight of 385.49 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methyl-1-[3-(4-phenylpiperazin-1-yl)phenyl]indole is sourced from PubChem (CID 170158290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).