3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole

C26H28FN3O — CID 59887887

IUPAC3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ccoc56)CC4)CC3)c2c1
InChIInChI=1S/C26H28FN3O/c27-20-6-9-24-22(16-20)23(17-28-24)18-4-7-21(8-5-18)29-11-13-30(14-12-29)25-3-1-2-19-10-15-31-26(19)25/h1-3,6,9-10,15-18,21,28H,4-5,7-8,11-14H2
InChIKeySWCVTXYZQYVMCU-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.90
Rot. Bonds3

About 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole

3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole (PubChem CID 59887887) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole
PubChem CID59887887
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ccoc56)CC4)CC3)c2c1
InChIInChI=1S/C26H28FN3O/c27-20-6-9-24-22(16-20)23(17-28-24)18-4-7-21(8-5-18)29-11-13-30(14-12-29)25-3-1-2-19-10-15-31-26(19)25/h1-3,6,9-10,15-18,21,28H,4-5,7-8,11-14H2
InChIKeySWCVTXYZQYVMCU-UHFFFAOYSA-N
XLogP5.90
TPSA35.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole with MolForge

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Related Compounds

1-(7-Benzofuranyl)-4-((5-(4-fluorophenyl)-1H-pyrrol-2-yl)methyl)piperazine
CID 208917
6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(furan-2-yl)isoquinoline
CID 23647585
N-{2-[2-(1-benzofuran-2-yl)-1H-indol-3-yl]ethyl}-4-(pyridin-4-yl)benzene-1-sulfonamide
CID 24825414
(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 11751896
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 10054314
5-{4-[4-(5-Fluoro-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzofuran-2-carboxylic acid amide
CID 11316467
3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11750460
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 58723795
N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-ethoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-4-(4-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 58723865
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-furylmethyl)-1H-indole-7-carboxamide
CID 507850
(3E)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(furan-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
CID 25023776
3-{4-[4-(2-Cyano-benzofuran-5-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11441638

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole?
The IUPAC name of 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole (CID 59887887) is 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole.
What is the SMILES notation for 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole?
The canonical SMILES for 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole is Fc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ccoc56)CC4)CC3)c2c1.
What is the InChIKey of 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole?
The InChIKey is SWCVTXYZQYVMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c27-20-6-9-24-22(16-20)23(17-28-24)18-4-7-21(8-5-18)29-11-13-30(14-12-29)25-3-1-2-19-10-15-31-26(19)25/h1-3,6,9-10,15-18,21,28H,4-5,7-8,11-14H2.
What are the key properties of 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole?
3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole has a molecular weight of 417.53 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1-benzofuran-7-yl)piperazin-1-yl]cyclohexyl]-5-fluoro-1H-indole is sourced from PubChem (CID 59887887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).