5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole

C25H31FN4 — CID 10645036

IUPAC5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
SMILESFc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1
InChIInChI=1S/C25H31FN4/c26-21-8-9-24-22(17-21)23(18-28-24)20-6-4-19(5-7-20)10-12-29-13-15-30(16-14-29)25-3-1-2-11-27-25/h1-3,8-9,11,17-20,28H,4-7,10,12-16H2
InChIKeyIFACRBHSWWBVIG-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.19
Rot. Bonds5

About 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole

5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole (PubChem CID 10645036) has the molecular formula C25H31FN4 and a molecular weight of 406.55 g/mol. Its IUPAC name is 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
PubChem CID10645036
Molecular FormulaC25H31FN4
Molecular Weight406.55 g/mol
Exact Mass406.25
IUPAC Name5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
SMILESFc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1
InChIInChI=1S/C25H31FN4/c26-21-8-9-24-22(17-21)23(18-28-24)20-6-4-19(5-7-20)10-12-29-13-15-30(16-14-29)25-3-1-2-11-27-25/h1-3,8-9,11,17-20,28H,4-7,10,12-16H2
InChIKeyIFACRBHSWWBVIG-UHFFFAOYSA-N
XLogP5.19
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole (CID 10645036) is 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole is Fc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1.
What is the InChIKey of 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The InChIKey is IFACRBHSWWBVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4/c26-21-8-9-24-22(17-21)23(18-28-24)20-6-4-19(5-7-20)10-12-29-13-15-30(16-14-29)25-3-1-2-11-27-25/h1-3,8-9,11,17-20,28H,4-7,10,12-16H2.
What are the key properties of 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole has a molecular weight of 406.55 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole is sourced from PubChem (CID 10645036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).