2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol

C20H23FN2O3 — CID 123283663

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
SMILESOCC(c1c2c(c3cncn13)=CC=CC2F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C20H23FN2O3/c21-16-3-1-2-14-17-10-22-12-23(17)19(18(14)16)15(11-24)13-4-6-20(7-5-13)25-8-9-26-20/h1-3,10,12-13,15-16,24H,4-9,11H2
InChIKeyZVAPTAMZXMNOOA-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.42
Rot. Bonds3

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol

2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol (PubChem CID 123283663) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
PubChem CID123283663
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol
SMILESOCC(c1c2c(c3cncn13)=CC=CC2F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C20H23FN2O3/c21-16-3-1-2-14-17-10-22-12-23(17)19(18(14)16)15(11-24)13-4-6-20(7-5-13)25-8-9-26-20/h1-3,10,12-13,15-16,24H,4-9,11H2
InChIKeyZVAPTAMZXMNOOA-UHFFFAOYSA-N
XLogP2.42
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol (CID 123283663) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol is OCC(c1c2c(c3cncn13)=CC=CC2F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
The InChIKey is ZVAPTAMZXMNOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-3-1-2-14-17-10-22-12-23(17)19(18(14)16)15(11-24)13-4-6-20(7-5-13)25-8-9-26-20/h1-3,10,12-13,15-16,24H,4-9,11H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol has a molecular weight of 358.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)ethanol is sourced from PubChem (CID 123283663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).