4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol

C23H21FN4O — CID 137053646

IUPAC4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCCCC4)nccn23)cc1
InChIInChI=1S/C23H21FN4O/c24-18-8-4-16(5-9-18)20-21(17-6-10-19(29)11-7-17)28-15-12-25-22(23(28)26-20)27-13-2-1-3-14-27/h4-12,15,29H,1-3,13-14H2
InChIKeyTUECZKHAXXYEAV-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.90
Rot. Bonds3

About 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol

4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137053646) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137053646
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCCCC4)nccn23)cc1
InChIInChI=1S/C23H21FN4O/c24-18-8-4-16(5-9-18)20-21(17-6-10-19(29)11-7-17)28-15-12-25-22(23(28)26-20)27-13-2-1-3-14-27/h4-12,15,29H,1-3,13-14H2
InChIKeyTUECZKHAXXYEAV-UHFFFAOYSA-N
XLogP4.90
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol (CID 137053646) is 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2c(-c3ccc(F)cc3)nc3c(N4CCCCC4)nccn23)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is TUECZKHAXXYEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-18-8-4-16(5-9-18)20-21(17-6-10-19(29)11-7-17)28-15-12-25-22(23(28)26-20)27-13-2-1-3-14-27/h4-12,15,29H,1-3,13-14H2.
What are the key properties of 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol?
4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 388.45 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137053646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).