2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone

C24H25FN2O — CID 154428613

IUPAC2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone
SMILESO=C(Cc1ccc2[nH]cc(C3CCC4CCCN4C3)c2c1)c1cccc(F)c1
InChIInChI=1S/C24H25FN2O/c25-19-4-1-3-17(13-19)24(28)12-16-6-9-23-21(11-16)22(14-26-23)18-7-8-20-5-2-10-27(20)15-18/h1,3-4,6,9,11,13-14,18,20,26H,2,5,7-8,10,12,15H2
InChIKeyDAPAXODXTALPKL-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.07
Rot. Bonds4

About 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone

2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone (PubChem CID 154428613) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone
PubChem CID154428613
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone
SMILESO=C(Cc1ccc2[nH]cc(C3CCC4CCCN4C3)c2c1)c1cccc(F)c1
InChIInChI=1S/C24H25FN2O/c25-19-4-1-3-17(13-19)24(28)12-16-6-9-23-21(11-16)22(14-26-23)18-7-8-20-5-2-10-27(20)15-18/h1,3-4,6,9,11,13-14,18,20,26H,2,5,7-8,10,12,15H2
InChIKeyDAPAXODXTALPKL-UHFFFAOYSA-N
XLogP5.07
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone with MolForge

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Related Compounds

1-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087492
1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003804
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087416
1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087637
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
1-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1H-indol-5-yl]-3-(3-phenylpropyl)urea
CID 67676187
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
2-(3,4-dimethoxyphenyl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087404
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
1-[3-(1,2,3,4,6,7,8,9,10,10a-decahydropyrido[1,2-a]azepin-8-yl)-1H-indol-5-yl]-3-(2,3-dibromophenyl)urea
CID 57290695
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone (CID 154428613) is 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone is O=C(Cc1ccc2[nH]cc(C3CCC4CCCN4C3)c2c1)c1cccc(F)c1.
What is the InChIKey of 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone?
The InChIKey is DAPAXODXTALPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c25-19-4-1-3-17(13-19)24(28)12-16-6-9-23-21(11-16)22(14-26-23)18-7-8-20-5-2-10-27(20)15-18/h1,3-4,6,9,11,13-14,18,20,26H,2,5,7-8,10,12,15H2.
What are the key properties of 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone?
2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone has a molecular weight of 376.48 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)-1H-indol-5-yl]-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 154428613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).