5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one

C24H20FN5O3S — CID 122656008

IUPAC5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCS(=O)(=O)CC5)nccn34)ccc2N1
InChIInChI=1S/C24H20FN5O3S/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(31)27-19)30-8-7-26-23(24(30)28-21)29-9-11-34(32,33)12-10-29/h1-8,13H,9-12,14H2,(H,27,31)
InChIKeyAUECRIHTGFOCBA-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.93
Rot. Bonds3

About 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one

5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122656008) has the molecular formula C24H20FN5O3S and a molecular weight of 477.52 g/mol. Its IUPAC name is 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122656008
Molecular FormulaC24H20FN5O3S
Molecular Weight477.52 g/mol
Exact Mass477.13
IUPAC Name5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCS(=O)(=O)CC5)nccn34)ccc2N1
InChIInChI=1S/C24H20FN5O3S/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(31)27-19)30-8-7-26-23(24(30)28-21)29-9-11-34(32,33)12-10-29/h1-8,13H,9-12,14H2,(H,27,31)
InChIKeyAUECRIHTGFOCBA-UHFFFAOYSA-N
XLogP2.93
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122656008) is 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCS(=O)(=O)CC5)nccn34)ccc2N1.
What is the InChIKey of 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is AUECRIHTGFOCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3S/c25-18-4-1-15(2-5-18)21-22(16-3-6-19-17(13-16)14-20(31)27-19)30-8-7-26-23(24(30)28-21)29-9-11-34(32,33)12-10-29/h1-8,13H,9-12,14H2,(H,27,31).
What are the key properties of 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 477.52 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).