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

C25H22FN5O2 — CID 122655974

IUPAC5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC(O)CC5)nccn34)ccc2N1
InChIInChI=1S/C25H22FN5O2/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/h1-6,9,12-13,19,32H,7-8,10-11,14H2,(H,28,33)
InChIKeySZQMMRIOKUZAEQ-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.66
Rot. Bonds3

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

5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122655974) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122655974
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC(O)CC5)nccn34)ccc2N1
InChIInChI=1S/C25H22FN5O2/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/h1-6,9,12-13,19,32H,7-8,10-11,14H2,(H,28,33)
InChIKeySZQMMRIOKUZAEQ-UHFFFAOYSA-N
XLogP3.66
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk2656157
CID 53469059
5-[2-(4-Fluorophenyl)-7-(4-hydroxypiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one
CID 122656119
(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
US10513523, Example 74
CID 122655984
US10513523, Example 8
CID 122656020
US10513523, Example 12
CID 122656023
US10513523, Example 32
CID 122656068
ATX inhibitor 12
CID 163409051
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 700080
N-{4-[(4-(2-Hydroxyethyl)piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[2-(imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylbenzamide
CID 24827163
2,6-difluoro-N-(3-(3-(2-(3-(pyrrolidin-1-ylmethyl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 44571764
N-(2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45273623

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122655974) is 5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-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-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC(O)CC5)nccn34)ccc2N1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is SZQMMRIOKUZAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/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/h1-6,9,12-13,19,32H,7-8,10-11,14H2,(H,28,33).
What are the key properties of 5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[2-(4-fluorophenyl)-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 443.48 g/mol, XLogP of 3.66, 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-hydroxypiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).