6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole

C26H29FN4 — CID 10158884

IUPAC6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole
SMILESFc1ccc2c(C3CCC(N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c[nH]c2c1
InChIInChI=1S/C26H29FN4/c27-19-6-9-21-23(17-29-25(21)16-19)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-22(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2
InChIKeyAAURBPVIEGZGKT-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.64
Rot. Bonds3

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

6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole (PubChem CID 10158884) has the molecular formula C26H29FN4 and a molecular weight of 416.54 g/mol. Its IUPAC name is 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole
PubChem CID10158884
Molecular FormulaC26H29FN4
Molecular Weight416.54 g/mol
Exact Mass416.24
IUPAC Name6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole
SMILESFc1ccc2c(C3CCC(N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c[nH]c2c1
InChIInChI=1S/C26H29FN4/c27-19-6-9-21-23(17-29-25(21)16-19)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-22(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2
InChIKeyAAURBPVIEGZGKT-UHFFFAOYSA-N
XLogP5.64
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole (CID 10158884) is 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole is Fc1ccc2c(C3CCC(N4CCN(c5cccc6[nH]ccc56)CC4)CC3)c[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
The InChIKey is AAURBPVIEGZGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4/c27-19-6-9-21-23(17-29-25(21)16-19)18-4-7-20(8-5-18)30-12-14-31(15-13-30)26-3-1-2-24-22(26)10-11-28-24/h1-3,6,9-11,16-18,20,28-29H,4-5,7-8,12-15H2.
What are the key properties of 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole?
6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole has a molecular weight of 416.54 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-1H-indole is sourced from PubChem (CID 10158884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).