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

C25H25N5O2 — CID 137053625

IUPAC1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(Cc4ccccc4)nc23)CC1
InChIInChI=1S/C25H25N5O2/c1-18(31)28-13-15-29(16-14-28)24-25-27-22(17-19-5-3-2-4-6-19)23(30(25)12-11-26-24)20-7-9-21(32)10-8-20/h2-12,32H,13-17H2,1H3
InChIKeyNXLPTTSOIONXLL-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.36
Rot. Bonds4

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

1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone (PubChem CID 137053625) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
PubChem CID137053625
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(Cc4ccccc4)nc23)CC1
InChIInChI=1S/C25H25N5O2/c1-18(31)28-13-15-29(16-14-28)24-25-27-22(17-19-5-3-2-4-6-19)23(30(25)12-11-26-24)20-7-9-21(32)10-8-20/h2-12,32H,13-17H2,1H3
InChIKeyNXLPTTSOIONXLL-UHFFFAOYSA-N
XLogP3.36
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methoxy-N-methyl-8-morpholin-4-yl-3-(4-phenylmethoxyphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 122655936
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1-[2-[4-[5-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 155870446
8-benzyl-2-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
CID 135967648
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrazol-1-ylbutanamide
CID 56752725
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
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CID 162396899
1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone
CID 25133124
1-[(6S)-6-hydroxy-4-isoquinolin-1-yl-1,4-diazepan-1-yl]ethanone
CID 97133893
1-[4-[4-(benzylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 54587266
1-[4-[6-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 83279385
[4-[3-(4-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]-(furan-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone (CID 137053625) is 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nccn3c(-c4ccc(O)cc4)c(Cc4ccccc4)nc23)CC1.
What is the InChIKey of 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
The InChIKey is NXLPTTSOIONXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-18(31)28-13-15-29(16-14-28)24-25-27-22(17-19-5-3-2-4-6-19)23(30(25)12-11-26-24)20-7-9-21(32)10-8-20/h2-12,32H,13-17H2,1H3.
What are the key properties of 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone?
1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-benzyl-3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 137053625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).