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

C25H22FN5O2 — CID 122656091

IUPAC5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESC[C@H]1COCCN1c1nccn2c(-c3ccc4c(c3)CC(=O)N4)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C25H22FN5O2/c1-15-14-33-11-10-30(15)24-25-29-22(16-2-5-19(26)6-3-16)23(31(25)9-8-27-24)17-4-7-20-18(12-17)13-21(32)28-20/h2-9,12,15H,10-11,13-14H2,1H3,(H,28,32)/t15-/m0/s1
InChIKeyOSUJVMMPDRRQOJ-HNNXBMFYSA-N
MW443.48 g/mol
LogP3.92
Rot. Bonds3

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

5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122656091) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122656091
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESC[C@H]1COCCN1c1nccn2c(-c3ccc4c(c3)CC(=O)N4)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C25H22FN5O2/c1-15-14-33-11-10-30(15)24-25-29-22(16-2-5-19(26)6-3-16)23(31(25)9-8-27-24)17-4-7-20-18(12-17)13-21(32)28-20/h2-9,12,15H,10-11,13-14H2,1H3,(H,28,32)/t15-/m0/s1
InChIKeyOSUJVMMPDRRQOJ-HNNXBMFYSA-N
XLogP3.92
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.92
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-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122656091) is 5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is C[C@H]1COCCN1c1nccn2c(-c3ccc4c(c3)CC(=O)N4)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is OSUJVMMPDRRQOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-15-14-33-11-10-30(15)24-25-29-22(16-2-5-19(26)6-3-16)23(31(25)9-8-27-24)17-4-7-20-18(12-17)13-21(32)28-20/h2-9,12,15H,10-11,13-14H2,1H3,(H,28,32)/t15-/m0/s1.
What are the key properties of 5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[2-(4-fluorophenyl)-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 443.48 g/mol, XLogP of 3.92, 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-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122656091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).