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

C25H20FN5O2 — CID 122655876

IUPAC5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1CCN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C25H20FN5O2/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)28-20)31-12-9-27-24(25(31)29-22)30-10-7-19(32)8-11-30/h1-6,9,12-13H,7-8,10-11,14H2,(H,28,33)
InChIKeyFQHLOZAMJREVSL-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.87
Rot. Bonds3

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

5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122655876) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122655876
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC Name5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1CCN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C25H20FN5O2/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)28-20)31-12-9-27-24(25(31)29-22)30-10-7-19(32)8-11-30/h1-6,9,12-13H,7-8,10-11,14H2,(H,28,33)
InChIKeyFQHLOZAMJREVSL-UHFFFAOYSA-N
XLogP3.87
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122655876) is 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is O=C1CCN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is FQHLOZAMJREVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)28-20)31-12-9-27-24(25(31)29-22)30-10-7-19(32)8-11-30/h1-6,9,12-13H,7-8,10-11,14H2,(H,28,33).
What are the key properties of 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 441.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-8-(4-oxopiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).