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

C25H21F2N5O — CID 122655984

IUPAC5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC(F)CC5)nccn34)ccc2N1
InChIInChI=1S/C25H21F2N5O/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)29-20)32-12-9-28-24(25(32)30-22)31-10-7-19(27)8-11-31/h1-6,9,12-13,19H,7-8,10-11,14H2,(H,29,33)
InChIKeyCQHVKBXXQZUVDK-UHFFFAOYSA-N
MW445.47 g/mol
LogP4.64
Rot. Bonds3

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

5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 122655984) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
PubChem CID122655984
Molecular FormulaC25H21F2N5O
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC Name5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC(F)CC5)nccn34)ccc2N1
InChIInChI=1S/C25H21F2N5O/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)29-20)32-12-9-28-24(25(32)30-22)31-10-7-19(27)8-11-31/h1-6,9,12-13,19H,7-8,10-11,14H2,(H,29,33)
InChIKeyCQHVKBXXQZUVDK-UHFFFAOYSA-N
XLogP4.64
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one (CID 122655984) is 5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-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-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3c(-c4ccc(F)cc4)nc4c(N5CCC(F)CC5)nccn34)ccc2N1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is CQHVKBXXQZUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c26-18-4-1-15(2-5-18)22-23(16-3-6-20-17(13-16)14-21(33)29-20)32-12-9-28-24(25(32)30-22)31-10-7-19(27)8-11-31/h1-6,9,12-13,19H,7-8,10-11,14H2,(H,29,33).
What are the key properties of 5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one?
5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 445.47 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-8-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 122655984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).