5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole

C24H24FN5O — CID 68824149

IUPAC5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole
SMILESCC(c1ccc(F)cc1)N1CCN(c2cc(Oc3ccc4[nH]ccc4c3)ncn2)CC1
InChIInChI=1S/C24H24FN5O/c1-17(18-2-4-20(25)5-3-18)29-10-12-30(13-11-29)23-15-24(28-16-27-23)31-21-6-7-22-19(14-21)8-9-26-22/h2-9,14-17,26H,10-13H2,1H3
InChIKeyQCOANSVQMWQMHO-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.77
Rot. Bonds5

About 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole

5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole (PubChem CID 68824149) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole
PubChem CID68824149
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole
SMILESCC(c1ccc(F)cc1)N1CCN(c2cc(Oc3ccc4[nH]ccc4c3)ncn2)CC1
InChIInChI=1S/C24H24FN5O/c1-17(18-2-4-20(25)5-3-18)29-10-12-30(13-11-29)23-15-24(28-16-27-23)31-21-6-7-22-19(14-21)8-9-26-22/h2-9,14-17,26H,10-13H2,1H3
InChIKeyQCOANSVQMWQMHO-UHFFFAOYSA-N
XLogP4.77
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole?
The IUPAC name of 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole (CID 68824149) is 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole?
The canonical SMILES for 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole is CC(c1ccc(F)cc1)N1CCN(c2cc(Oc3ccc4[nH]ccc4c3)ncn2)CC1.
What is the InChIKey of 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole?
The InChIKey is QCOANSVQMWQMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-17(18-2-4-20(25)5-3-18)29-10-12-30(13-11-29)23-15-24(28-16-27-23)31-21-6-7-22-19(14-21)8-9-26-22/h2-9,14-17,26H,10-13H2,1H3.
What are the key properties of 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole?
5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole has a molecular weight of 417.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 68824149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).