ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide

C26H36FN3O2 — CID 144760221

IUPACethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide
SMILESCC.CC(=O)c1ccc(-c2cc3cc[nH]c3cc2F)nc1.CC1CCCC1.CCC(N)=O
InChIInChI=1S/C15H11FN2O.C6H12.C3H7NO.C2H6/c1-9(19)11-2-3-14(18-8-11)12-6-10-4-5-17-15(10)7-13(12)16;1-6-4-2-3-5-6;1-2-3(4)5;1-2/h2-8,17H,1H3;6H,2-5H2,1H3;2H2,1H3,(H2,4,5);1-2H3
InChIKeyZCKXJXYEOIQHEQ-UHFFFAOYSA-N
MW441.59 g/mol
LogP6.68
Rot. Bonds3

About ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide

ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide (PubChem CID 144760221) has the molecular formula C26H36FN3O2 and a molecular weight of 441.59 g/mol. Its IUPAC name is ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide.

Molecular Properties

Compound Nameethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide
PubChem CID144760221
Molecular FormulaC26H36FN3O2
Molecular Weight441.59 g/mol
Exact Mass441.28
IUPAC Nameethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide
SMILESCC.CC(=O)c1ccc(-c2cc3cc[nH]c3cc2F)nc1.CC1CCCC1.CCC(N)=O
InChIInChI=1S/C15H11FN2O.C6H12.C3H7NO.C2H6/c1-9(19)11-2-3-14(18-8-11)12-6-10-4-5-17-15(10)7-13(12)16;1-6-4-2-3-5-6;1-2-3(4)5;1-2/h2-8,17H,1H3;6H,2-5H2,1H3;2H2,1H3,(H2,4,5);1-2H3
InChIKeyZCKXJXYEOIQHEQ-UHFFFAOYSA-N
XLogP6.68
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.59
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide?
The IUPAC name of ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide (CID 144760221) is ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide.
What is the SMILES notation for ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide?
The canonical SMILES for ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide is CC.CC(=O)c1ccc(-c2cc3cc[nH]c3cc2F)nc1.CC1CCCC1.CCC(N)=O.
What is the InChIKey of ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide?
The InChIKey is ZCKXJXYEOIQHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O.C6H12.C3H7NO.C2H6/c1-9(19)11-2-3-14(18-8-11)12-6-10-4-5-17-15(10)7-13(12)16;1-6-4-2-3-5-6;1-2-3(4)5;1-2/h2-8,17H,1H3;6H,2-5H2,1H3;2H2,1H3,(H2,4,5);1-2H3.
What are the key properties of ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide?
ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide has a molecular weight of 441.59 g/mol, XLogP of 6.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-(6-fluoro-1H-indol-5-yl)-3-pyridinyl]ethanone;methylcyclopentane;propanamide is sourced from PubChem (CID 144760221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).