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

C24H19FN6O2 — CID 122656068

IUPAC5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1CN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CCN1
InChIInChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)21-22(15-3-6-18-16(11-15)12-19(32)28-18)31-10-8-27-23(24(31)29-21)30-9-7-26-20(33)13-30/h1-6,8,10-11H,7,9,12-13H2,(H,26,33)(H,28,32)
InChIKeyXJBSPQRCLUEXAC-UHFFFAOYSA-N
MW442.45 g/mol
LogP2.63
Rot. Bonds3

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

5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122656068) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122656068
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Name5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1CN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CCN1
InChIInChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)21-22(15-3-6-18-16(11-15)12-19(32)28-18)31-10-8-27-23(24(31)29-21)30-9-7-26-20(33)13-30/h1-6,8,10-11H,7,9,12-13H2,(H,26,33)(H,28,32)
InChIKeyXJBSPQRCLUEXAC-UHFFFAOYSA-N
XLogP2.63
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122656068) is 5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-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-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is O=C1CN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CCN1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is XJBSPQRCLUEXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c25-17-4-1-14(2-5-17)21-22(15-3-6-18-16(11-15)12-19(32)28-18)31-10-8-27-23(24(31)29-21)30-9-7-26-20(33)13-30/h1-6,8,10-11H,7,9,12-13H2,(H,26,33)(H,28,32).
What are the key properties of 5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 442.45 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-8-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).