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

C26H34N4O — CID 10788182

IUPAC5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1
InChIInChI=1S/C26H34N4O/c1-31-22-9-10-25-23(18-22)24(19-28-25)21-7-5-20(6-8-21)11-13-29-14-16-30(17-15-29)26-4-2-3-12-27-26/h2-4,9-10,12,18-21,28H,5-8,11,13-17H2,1H3
InChIKeyYFHRSRHMFPVJQU-UHFFFAOYSA-N
MW418.59 g/mol
LogP5.06
Rot. Bonds6

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

5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole (PubChem CID 10788182) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
PubChem CID10788182
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1
InChIInChI=1S/C26H34N4O/c1-31-22-9-10-25-23(18-22)24(19-28-25)21-7-5-20(6-8-21)11-13-29-14-16-30(17-15-29)26-4-2-3-12-27-26/h2-4,9-10,12,18-21,28H,5-8,11,13-17H2,1H3
InChIKeyYFHRSRHMFPVJQU-UHFFFAOYSA-N
XLogP5.06
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole (CID 10788182) is 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole is COc1ccc2[nH]cc(C3CCC(CCN4CCN(c5ccccn5)CC4)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The InChIKey is YFHRSRHMFPVJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-31-22-9-10-25-23(18-22)24(19-28-25)21-7-5-20(6-8-21)11-13-29-14-16-30(17-15-29)26-4-2-3-12-27-26/h2-4,9-10,12,18-21,28H,5-8,11,13-17H2,1H3.
What are the key properties of 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole has a molecular weight of 418.59 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole is sourced from PubChem (CID 10788182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).