1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone

C24H22FN5O2 — CID 137053643

IUPAC1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C24H22FN5O2/c1-16(31)28-12-14-29(15-13-28)23-24-27-21(17-2-6-19(25)7-3-17)22(30(24)11-10-26-23)18-4-8-20(32)9-5-18/h2-11,32H,12-15H2,1H3
InChIKeyKLBXEXJTWDTRPW-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.58
Rot. Bonds3

About 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone

1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone (PubChem CID 137053643) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
PubChem CID137053643
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1
InChIInChI=1S/C24H22FN5O2/c1-16(31)28-12-14-29(15-13-28)23-24-27-21(17-2-6-19(25)7-3-17)22(30(24)11-10-26-23)18-4-8-20(32)9-5-18/h2-11,32H,12-15H2,1H3
InChIKeyKLBXEXJTWDTRPW-UHFFFAOYSA-N
XLogP3.58
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone (CID 137053643) is 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(F)cc4)nc23)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The InChIKey is KLBXEXJTWDTRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-16(31)28-12-14-29(15-13-28)23-24-27-21(17-2-6-19(25)7-3-17)22(30(24)11-10-26-23)18-4-8-20(32)9-5-18/h2-11,32H,12-15H2,1H3.
What are the key properties of 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone has a molecular weight of 431.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 137053643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).