2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol

C28H25N3O2 — CID 138492850

IUPAC2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol
SMILESCOCc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C28H25N3O2/c1-33-19-22-12-14-23(15-13-22)26-18-31-27(24(29-26)16-20-8-4-2-5-9-20)30-25(28(31)32)17-21-10-6-3-7-11-21/h2-15,18,32H,16-17,19H2,1H3
InChIKeyXFPXTGUWEPUNQA-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.43
Rot. Bonds7

About 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol

2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol (PubChem CID 138492850) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol
PubChem CID138492850
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol
SMILESCOCc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1
InChIInChI=1S/C28H25N3O2/c1-33-19-22-12-14-23(15-13-22)26-18-31-27(24(29-26)16-20-8-4-2-5-9-20)30-25(28(31)32)17-21-10-6-3-7-11-21/h2-15,18,32H,16-17,19H2,1H3
InChIKeyXFPXTGUWEPUNQA-UHFFFAOYSA-N
XLogP5.43
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Coelenterazine
CID 135445694
(8-Benzyloxy-2-methyl-imidazo[1,2-a]pyridin-3-yl)-methanol
CID 9860166
3-(8-Morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 9922221
4-[3-[6-(Ethoxymethyl)-3-pyridinyl]-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380387
3-(2-Methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)phenol
CID 57394838
3-[3-(4-Methylpiperazin-1-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]phenol
CID 57401845
4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenol
CID 134179819
US10513523, Example 83
CID 137053640
Coelenterazine H
CID 135398664
4-[(8-Methyl(4-hydroimidazo[1,2-a]pyridin-2-yl))methoxy]-1-phenylbenzene
CID 1523656
2-allyl-6-{(E)-[(2-phenylimidazo[1,2-a]pyridin-8-yl)imino]methyl}phenol
CID 5179799
2-[4-[7-(4-Methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetonitrile
CID 118733901

Frequently Asked Questions

What is the IUPAC name of 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol (CID 138492850) is 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol is COCc1ccc(-c2cn3c(O)c(Cc4ccccc4)nc3c(Cc3ccccc3)n2)cc1.
What is the InChIKey of 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol?
The InChIKey is XFPXTGUWEPUNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-33-19-22-12-14-23(15-13-22)26-18-31-27(24(29-26)16-20-8-4-2-5-9-20)30-25(28(31)32)17-21-10-6-3-7-11-21/h2-15,18,32H,16-17,19H2,1H3.
What are the key properties of 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol?
2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol has a molecular weight of 435.53 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibenzyl-6-[4-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 138492850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).