5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole

C19H19ClFN3 — CID 15006415

IUPAC5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H19ClFN3/c1-22-8-10-23(11-9-22)19-13-24(16-5-3-15(21)4-6-16)18-7-2-14(20)12-17(18)19/h2-7,12-13H,8-11H2,1H3
InChIKeyLSIVEFHSNHEZSG-UHFFFAOYSA-N
MW343.83 g/mol
LogP4.17
Rot. Bonds2

About 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole

5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole (PubChem CID 15006415) has the molecular formula C19H19ClFN3 and a molecular weight of 343.83 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole
PubChem CID15006415
Molecular FormulaC19H19ClFN3
Molecular Weight343.83 g/mol
Exact Mass343.13
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole
SMILESCN1CCN(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C19H19ClFN3/c1-22-8-10-23(11-9-22)19-13-24(16-5-3-15(21)4-6-16)18-7-2-14(20)12-17(18)19/h2-7,12-13H,8-11H2,1H3
InChIKeyLSIVEFHSNHEZSG-UHFFFAOYSA-N
XLogP4.17
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)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 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole (CID 15006415) is 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole is CN1CCN(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole?
The InChIKey is LSIVEFHSNHEZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3/c1-22-8-10-23(11-9-22)19-13-24(16-5-3-15(21)4-6-16)18-7-2-14(20)12-17(18)19/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole?
5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole has a molecular weight of 343.83 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)indole is sourced from PubChem (CID 15006415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).