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

C23H18FN5O — CID 122656128

IUPAC5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC5)nccn34)ccc2N1
InChIInChI=1S/C23H18FN5O/c24-17-5-2-14(3-6-17)20-21(15-4-7-18-16(12-15)13-19(30)26-18)29-11-8-25-22(23(29)27-20)28-9-1-10-28/h2-8,11-12H,1,9-10,13H2,(H,26,30)
InChIKeyJGVFODAWMAEEEW-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.91
Rot. Bonds3

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

5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122656128) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122656128
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC5)nccn34)ccc2N1
InChIInChI=1S/C23H18FN5O/c24-17-5-2-14(3-6-17)20-21(15-4-7-18-16(12-15)13-19(30)26-18)29-11-8-25-22(23(29)27-20)28-9-1-10-28/h2-8,11-12H,1,9-10,13H2,(H,26,30)
InChIKeyJGVFODAWMAEEEW-UHFFFAOYSA-N
XLogP3.91
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122656128) is 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC5)nccn34)ccc2N1.
What is the InChIKey of 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is JGVFODAWMAEEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-17-5-2-14(3-6-17)20-21(15-4-7-18-16(12-15)13-19(30)26-18)29-11-8-25-22(23(29)27-20)28-9-1-10-28/h2-8,11-12H,1,9-10,13H2,(H,26,30).
What are the key properties of 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 399.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(azetidin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).