3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C26H25FN4O — CID 55506676

IUPAC3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H25FN4O/c27-20-9-11-23-22(18-20)21(26(29-23)19-6-2-1-3-7-19)10-12-25(32)31-16-14-30(15-17-31)24-8-4-5-13-28-24/h1-9,11,13,18,29H,10,12,14-17H2
InChIKeyGOFZZTBEOAPHDV-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.65
Rot. Bonds5

About 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 55506676) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID55506676
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C26H25FN4O/c27-20-9-11-23-22(18-20)21(26(29-23)19-6-2-1-3-7-19)10-12-25(32)31-16-14-30(15-17-31)24-8-4-5-13-28-24/h1-9,11,13,18,29H,10,12,14-17H2
InChIKeyGOFZZTBEOAPHDV-UHFFFAOYSA-N
XLogP4.65
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803522
4-[[4-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperazin-1-yl]methyl]benzamide
CID 112826584
N-[1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]piperidin-4-yl]benzamide
CID 46521131
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
CID 51488484
1-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257302
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18833151
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 166586133
1-[4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452065
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 17481914
2-[2-(3-fluorophenyl)sulfanyl-1H-indol-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 50822721
3-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228674

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 55506676) is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is GOFZZTBEOAPHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-20-9-11-23-22(18-20)21(26(29-23)19-6-2-1-3-7-19)10-12-25(32)31-16-14-30(15-17-31)24-8-4-5-13-28-24/h1-9,11,13,18,29H,10,12,14-17H2.
What are the key properties of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 428.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 55506676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).