3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole

C24H31N5 — CID 11794715

IUPAC3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
SMILESc1cnc(N2CCN(CCC3CCC(c4c[nH]c5ccccc45)CC3)CC2)nc1
InChIInChI=1S/C24H31N5/c1-2-5-23-21(4-1)22(18-27-23)20-8-6-19(7-9-20)10-13-28-14-16-29(17-15-28)24-25-11-3-12-26-24/h1-5,11-12,18-20,27H,6-10,13-17H2
InChIKeyNHQJFVWHLAYQQH-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.44
Rot. Bonds5

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

3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole (PubChem CID 11794715) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
PubChem CID11794715
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
SMILESc1cnc(N2CCN(CCC3CCC(c4c[nH]c5ccccc45)CC3)CC2)nc1
InChIInChI=1S/C24H31N5/c1-2-5-23-21(4-1)22(18-27-23)20-8-6-19(7-9-20)10-13-28-14-16-29(17-15-28)24-25-11-3-12-26-24/h1-5,11-12,18-20,27H,6-10,13-17H2
InChIKeyNHQJFVWHLAYQQH-UHFFFAOYSA-N
XLogP4.44
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The IUPAC name of 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole (CID 11794715) is 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole.
What is the SMILES notation for 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The canonical SMILES for 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole is c1cnc(N2CCN(CCC3CCC(c4c[nH]c5ccccc45)CC3)CC2)nc1.
What is the InChIKey of 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
The InChIKey is NHQJFVWHLAYQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-2-5-23-21(4-1)22(18-27-23)20-8-6-19(7-9-20)10-13-28-14-16-29(17-15-28)24-25-11-3-12-26-24/h1-5,11-12,18-20,27H,6-10,13-17H2.
What are the key properties of 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole?
3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole has a molecular weight of 389.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole is sourced from PubChem (CID 11794715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).