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

C26H24FN5O2 — CID 122655883

IUPAC5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESCC1(O)CCN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C26H24FN5O2/c1-26(34)8-11-31(12-9-26)24-25-30-22(16-2-5-19(27)6-3-16)23(32(25)13-10-28-24)17-4-7-20-18(14-17)15-21(33)29-20/h2-7,10,13-14,34H,8-9,11-12,15H2,1H3,(H,29,33)
InChIKeyFRWRDSICAQLHHY-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.05
Rot. Bonds3

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

5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122655883) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122655883
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESCC1(O)CCN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C26H24FN5O2/c1-26(34)8-11-31(12-9-26)24-25-30-22(16-2-5-19(27)6-3-16)23(32(25)13-10-28-24)17-4-7-20-18(14-17)15-21(33)29-20/h2-7,10,13-14,34H,8-9,11-12,15H2,1H3,(H,29,33)
InChIKeyFRWRDSICAQLHHY-UHFFFAOYSA-N
XLogP4.05
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ly-2090314
CID 10029385
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CID 138578805
Gsk2656157
CID 53469059
5-[2-(4-Fluorophenyl)-7-(4-hydroxy-1-piperidinyl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one
CID 122656119
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
1-[5-(4-Amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57519740
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
CID 56965952
(3S)-3-benzyl-5-[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]-3-methyl-1,3-dihydro-2H-indol-2-one
CID 131964682
3-(Imidazo[1,2-a]pyridin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CID 24827068
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864
Pentanoic acid {4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444866
Cyclopentanecarboxylic acid{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amide
CID 44444867

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122655883) is 5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-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-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is CC1(O)CCN(c2nccn3c(-c4ccc5c(c4)CC(=O)N5)c(-c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is FRWRDSICAQLHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-26(34)8-11-31(12-9-26)24-25-30-22(16-2-5-19(27)6-3-16)23(32(25)13-10-28-24)17-4-7-20-18(14-17)15-21(33)29-20/h2-7,10,13-14,34H,8-9,11-12,15H2,1H3,(H,29,33).
What are the key properties of 5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[2-(4-fluorophenyl)-8-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 457.51 g/mol, XLogP of 4.05, 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-(4-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).