(3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol

C64H72F4N12O12S4 — CID 158603321

IUPAC(3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC(C2c3ccc(F)cc3-c3cncn32)C(O)C1.CS(=O)(=O)N1CC[C@@H]([C@H]2c3ccc(F)cc3-c3cncn32)[C@H](O)C1.CS(=O)(=O)N1CC[C@H]([C@@H]2c3ccc(F)cc3-c3cncn32)[C@@H](O)C1.CS(=O)(=O)N1CC[C@H]([C@H]2c3ccc(F)cc3-c3cncn32)[C@@H](O)C1
InChIInChI=1S/4C16H18FN3O3S/c4*1-24(22,23)19-5-4-12(15(21)8-19)16-11-3-2-10(17)6-13(11)14-7-18-9-20(14)16/h4*2-3,6-7,9,12,15-16,21H,4-5,8H2,1H3/t12-,15-,16+;2*12-,15-,16-;/m010./s1
InChIKeyHVXIXQUJAVAIQV-MTKPXXORSA-N
MW1405.61 g/mol
LogP4.94
Rot. Bonds8

About (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol

(3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol (PubChem CID 158603321) has the molecular formula C64H72F4N12O12S4 and a molecular weight of 1405.61 g/mol. Its IUPAC name is (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol
PubChem CID158603321
Molecular FormulaC64H72F4N12O12S4
Molecular Weight1405.61 g/mol
Exact Mass1404.42
IUPAC Name(3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol
SMILESCS(=O)(=O)N1CCC(C2c3ccc(F)cc3-c3cncn32)C(O)C1.CS(=O)(=O)N1CC[C@@H]([C@H]2c3ccc(F)cc3-c3cncn32)[C@H](O)C1.CS(=O)(=O)N1CC[C@H]([C@@H]2c3ccc(F)cc3-c3cncn32)[C@@H](O)C1.CS(=O)(=O)N1CC[C@H]([C@H]2c3ccc(F)cc3-c3cncn32)[C@@H](O)C1
InChIInChI=1S/4C16H18FN3O3S/c4*1-24(22,23)19-5-4-12(15(21)8-19)16-11-3-2-10(17)6-13(11)14-7-18-9-20(14)16/h4*2-3,6-7,9,12,15-16,21H,4-5,8H2,1H3/t12-,15-,16+;2*12-,15-,16-;/m010./s1
InChIKeyHVXIXQUJAVAIQV-MTKPXXORSA-N
XLogP4.94
TPSA301.72 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.61
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol?
The IUPAC name of (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol (CID 158603321) is (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol is CS(=O)(=O)N1CCC(C2c3ccc(F)cc3-c3cncn32)C(O)C1.CS(=O)(=O)N1CC[C@@H]([C@H]2c3ccc(F)cc3-c3cncn32)[C@H](O)C1.CS(=O)(=O)N1CC[C@H]([C@@H]2c3ccc(F)cc3-c3cncn32)[C@@H](O)C1.CS(=O)(=O)N1CC[C@H]([C@H]2c3ccc(F)cc3-c3cncn32)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol?
The InChIKey is HVXIXQUJAVAIQV-MTKPXXORSA-N. The full InChI is InChI=1S/4C16H18FN3O3S/c4*1-24(22,23)19-5-4-12(15(21)8-19)16-11-3-2-10(17)6-13(11)14-7-18-9-20(14)16/h4*2-3,6-7,9,12,15-16,21H,4-5,8H2,1H3/t12-,15-,16+;2*12-,15-,16-;/m010./s1.
What are the key properties of (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol?
(3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol has a molecular weight of 1405.61 g/mol, XLogP of 4.94, 8 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3R,4R)-4-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;(3S,4S)-4-[(5S)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylsulfonylpiperidin-3-ol;4-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidin-3-ol is sourced from PubChem (CID 158603321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).