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

C24H22ClN5O2 — CID 137053632

IUPAC1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(Cl)cc4)nc23)CC1
InChIInChI=1S/C24H22ClN5O2/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
InChIKeyRWQUJXHGPZRDTF-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.09
Rot. Bonds3

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

1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone (PubChem CID 137053632) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
PubChem CID137053632
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC Name1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(Cl)cc4)nc23)CC1
InChIInChI=1S/C24H22ClN5O2/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
InChIKeyRWQUJXHGPZRDTF-UHFFFAOYSA-N
XLogP4.09
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.09
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-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone (CID 137053632) is 1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(-c4ccc(Cl)cc4)nc23)CC1.
What is the InChIKey of 1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The InChIKey is RWQUJXHGPZRDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/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-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
1-[4-[2-(4-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone has a molecular weight of 447.93 g/mol, XLogP of 4.09, 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-chlorophenyl)-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 137053632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).