2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone

C25H26FN3O2 — CID 70914326

IUPAC2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C25H26FN3O2/c26-19-7-5-17(6-8-19)13-25(31)28-11-9-18(10-12-28)24(30)14-22-20-3-1-2-4-21(20)23-15-27-16-29(22)23/h1-8,15-16,18,22,24,30H,9-14H2/t22-,24+/m0/s1
InChIKeyGCUYSCRDNLRJNF-LADGPHEKSA-N
MW419.50 g/mol
LogP3.82
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 70914326) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID70914326
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1
InChIInChI=1S/C25H26FN3O2/c26-19-7-5-17(6-8-19)13-25(31)28-11-9-18(10-12-28)24(30)14-22-20-3-1-2-4-21(20)23-15-27-16-29(22)23/h1-8,15-16,18,22,24,30H,9-14H2/t22-,24+/m0/s1
InChIKeyGCUYSCRDNLRJNF-LADGPHEKSA-N
XLogP3.82
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone (CID 70914326) is 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is GCUYSCRDNLRJNF-LADGPHEKSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-19-7-5-17(6-8-19)13-25(31)28-11-9-18(10-12-28)24(30)14-22-20-3-1-2-4-21(20)23-15-27-16-29(22)23/h1-8,15-16,18,22,24,30H,9-14H2/t22-,24+/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 419.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[(1R)-1-hydroxy-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70914326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).