4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile

C22H14N4O2S — CID 155773715

IUPAC4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)cn3c(O)c(Cc4ccco4)nc23)cs1
InChIInChI=1S/C22H14N4O2S/c23-11-17-9-15(13-29-17)20-21-25-18(10-16-7-4-8-28-16)22(27)26(21)12-19(24-20)14-5-2-1-3-6-14/h1-9,12-13,27H,10H2
InChIKeyGGQLHOALOJRJFP-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.89
Rot. Bonds4

About 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile

4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile (PubChem CID 155773715) has the molecular formula C22H14N4O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile
PubChem CID155773715
Molecular FormulaC22H14N4O2S
Molecular Weight398.45 g/mol
Exact Mass398.08
IUPAC Name4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)cn3c(O)c(Cc4ccco4)nc23)cs1
InChIInChI=1S/C22H14N4O2S/c23-11-17-9-15(13-29-17)20-21-25-18(10-16-7-4-8-28-16)22(27)26(21)12-19(24-20)14-5-2-1-3-6-14/h1-9,12-13,27H,10H2
InChIKeyGGQLHOALOJRJFP-UHFFFAOYSA-N
XLogP4.89
TPSA87.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-Furyl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 117769709
8-benzyl-2-[(furan-2-yl)methyl]-6-phenyl-3H,7H-imidazo[1,2-a]pyrazin-3-one
CID 136008305
Methyl 2-[[2-ethyl-3-[methyl(thiophene-2-carbonyl)amino]imidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
CID 49786527
Methyl 2-[[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
CID 49790530
N-[2-ethyl-8-[2-(4-fluorophenyl)-2-oxoethoxy]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
CID 49791166
1-(4-Fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone
CID 46948287
Hydrofurimazine
CID 137285375
8-benzyl-6-(2-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 137314688
NanoLuc substrate 2
CID 146404025
8-benzyl-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607091
Cephalofurimazine
CID 166607092
8-(2-fluorobenzyl)-6-(3-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607093

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile?
The IUPAC name of 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile (CID 155773715) is 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile?
The canonical SMILES for 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile is N#Cc1cc(-c2nc(-c3ccccc3)cn3c(O)c(Cc4ccco4)nc23)cs1.
What is the InChIKey of 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile?
The InChIKey is GGQLHOALOJRJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O2S/c23-11-17-9-15(13-29-17)20-21-25-18(10-16-7-4-8-28-16)22(27)26(21)12-19(24-20)14-5-2-1-3-6-14/h1-9,12-13,27H,10H2.
What are the key properties of 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile?
4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile has a molecular weight of 398.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-ylmethyl)-3-hydroxy-6-phenylimidazo[1,2-a]pyrazin-8-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 155773715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).