5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole

C29H32FN3O — CID 18414133

IUPAC5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole
SMILESCOc1ccc2cc(N3CCN(C4CCC(c5c[nH]c6ccc(F)cc56)CC4)CC3)ccc2c1
InChIInChI=1S/C29H32FN3O/c1-34-26-10-5-21-16-25(9-4-22(21)17-26)33-14-12-32(13-15-33)24-7-2-20(3-8-24)28-19-31-29-11-6-23(30)18-27(28)29/h4-6,9-11,16-20,24,31H,2-3,7-8,12-15H2,1H3
InChIKeyDXGBIQLMRLFMRQ-UHFFFAOYSA-N
MW457.59 g/mol
LogP6.32
Rot. Bonds4

About 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole

5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole (PubChem CID 18414133) has the molecular formula C29H32FN3O and a molecular weight of 457.59 g/mol. Its IUPAC name is 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole
PubChem CID18414133
Molecular FormulaC29H32FN3O
Molecular Weight457.59 g/mol
Exact Mass457.25
IUPAC Name5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole
SMILESCOc1ccc2cc(N3CCN(C4CCC(c5c[nH]c6ccc(F)cc56)CC4)CC3)ccc2c1
InChIInChI=1S/C29H32FN3O/c1-34-26-10-5-21-16-25(9-4-22(21)17-26)33-14-12-32(13-15-33)24-7-2-20(3-8-24)28-19-31-29-11-6-23(30)18-27(28)29/h4-6,9-11,16-20,24,31H,2-3,7-8,12-15H2,1H3
InChIKeyDXGBIQLMRLFMRQ-UHFFFAOYSA-N
XLogP6.32
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.59
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-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-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole (CID 18414133) is 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole is COc1ccc2cc(N3CCN(C4CCC(c5c[nH]c6ccc(F)cc56)CC4)CC3)ccc2c1.
What is the InChIKey of 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The InChIKey is DXGBIQLMRLFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O/c1-34-26-10-5-21-16-25(9-4-22(21)17-26)33-14-12-32(13-15-33)24-7-2-20(3-8-24)28-19-31-29-11-6-23(30)18-27(28)29/h4-6,9-11,16-20,24,31H,2-3,7-8,12-15H2,1H3.
What are the key properties of 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole has a molecular weight of 457.59 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-[4-(6-methoxynaphthalen-2-yl)piperazin-1-yl]cyclohexyl]-1H-indole is sourced from PubChem (CID 18414133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).