2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone

C23H25FN2O2 — CID 56981670

IUPAC2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
SMILESCCc1[nH]c2ccc(OC)cc2c1N1CCC(CC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H25FN2O2/c1-3-20-23(19-13-18(28-2)8-9-21(19)25-20)26-11-10-15(14-26)12-22(27)16-4-6-17(24)7-5-16/h4-9,13,15,25H,3,10-12,14H2,1-2H3
InChIKeyYTUCLWLWZDQTIP-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.98
Rot. Bonds6

About 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone

2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone (PubChem CID 56981670) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
PubChem CID56981670
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
SMILESCCc1[nH]c2ccc(OC)cc2c1N1CCC(CC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C23H25FN2O2/c1-3-20-23(19-13-18(28-2)8-9-21(19)25-20)26-11-10-15(14-26)12-22(27)16-4-6-17(24)7-5-16/h4-9,13,15,25H,3,10-12,14H2,1-2H3
InChIKeyYTUCLWLWZDQTIP-UHFFFAOYSA-N
XLogP4.98
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone with MolForge

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Related Compounds

1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone
CID 67725168
3-(4-benzylpiperidin-1-yl)-2-ethyl-1H-indole-5-carboxamide
CID 69421337
4-fluoro-N-[2-[1-(7-methoxynaphthalen-1-yl)piperidin-4-yl]ethyl]benzamide;hydrochloride
CID 139641403
1-[(1S)-1-(4-fluorophenyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]butan-1-one
CID 92734709
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95229107
(4-fluorophenyl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4909744
2-[(3R)-7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 170699545
cyclopropyl-[(1S)-1-(4-fluorophenyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 92734696
2-[1-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone;hydrochloride
CID 67815091
3-fluoro-6-methoxy-9H-carbazole
CID 171714917
(3-bromo-5-methoxy-1H-indol-2-yl)methanol
CID 115047680
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanone
CID 63491322

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone (CID 56981670) is 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone is CCc1[nH]c2ccc(OC)cc2c1N1CCC(CC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone?
The InChIKey is YTUCLWLWZDQTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-3-20-23(19-13-18(28-2)8-9-21(19)25-20)26-11-10-15(14-26)12-22(27)16-4-6-17(24)7-5-16/h4-9,13,15,25H,3,10-12,14H2,1-2H3.
What are the key properties of 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone?
2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone has a molecular weight of 380.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethyl-5-methoxy-1H-indol-3-yl)pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 56981670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).