5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole

C27H31F2N3O — CID 10225934

IUPAC5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole
SMILESFc1cc2c(c(N3CCN(C4CCC(c5c[nH]c6ccc(F)cc56)CC4)CC3)c1)OCCC2
InChIInChI=1S/C27H31F2N3O/c28-20-5-8-25-23(15-20)24(17-30-25)18-3-6-22(7-4-18)31-9-11-32(12-10-31)26-16-21(29)14-19-2-1-13-33-27(19)26/h5,8,14-18,22,30H,1-4,6-7,9-13H2
InChIKeyZJMLJBSRJZEQTO-UHFFFAOYSA-N
MW451.56 g/mol
LogP5.62
Rot. Bonds3

About 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole

5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole (PubChem CID 10225934) has the molecular formula C27H31F2N3O and a molecular weight of 451.56 g/mol. Its IUPAC name is 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole
PubChem CID10225934
Molecular FormulaC27H31F2N3O
Molecular Weight451.56 g/mol
Exact Mass451.24
IUPAC Name5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole
SMILESFc1cc2c(c(N3CCN(C4CCC(c5c[nH]c6ccc(F)cc56)CC4)CC3)c1)OCCC2
InChIInChI=1S/C27H31F2N3O/c28-20-5-8-25-23(15-20)24(17-30-25)18-3-6-22(7-4-18)31-9-11-32(12-10-31)26-16-21(29)14-19-2-1-13-33-27(19)26/h5,8,14-18,22,30H,1-4,6-7,9-13H2
InChIKeyZJMLJBSRJZEQTO-UHFFFAOYSA-N
XLogP5.62
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-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-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole (CID 10225934) is 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole is Fc1cc2c(c(N3CCN(C4CCC(c5c[nH]c6ccc(F)cc56)CC4)CC3)c1)OCCC2.
What is the InChIKey of 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The InChIKey is ZJMLJBSRJZEQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O/c28-20-5-8-25-23(15-20)24(17-30-25)18-3-6-22(7-4-18)31-9-11-32(12-10-31)26-16-21(29)14-19-2-1-13-33-27(19)26/h5,8,14-18,22,30H,1-4,6-7,9-13H2.
What are the key properties of 5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
5-fluoro-3-[4-[4-(6-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole has a molecular weight of 451.56 g/mol, XLogP of 5.62, 3 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-fluoro-3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]cyclohexyl]-1H-indole is sourced from PubChem (CID 10225934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).