8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol

C21H14ClN3O2S — CID 137285371

IUPAC8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(-c3sccc3Cl)nc(-c3ccccc3)cn12
InChIInChI=1S/C21H14ClN3O2S/c22-15-8-10-28-19(15)18-20-24-16(11-14-7-4-9-27-14)21(26)25(20)12-17(23-18)13-5-2-1-3-6-13/h1-10,12,26H,11H2
InChIKeyBZYBQDJWMGZASB-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.67
Rot. Bonds4

About 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol

8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol (PubChem CID 137285371) has the molecular formula C21H14ClN3O2S and a molecular weight of 407.88 g/mol. Its IUPAC name is 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol.

Molecular Properties

Compound Name8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
PubChem CID137285371
Molecular FormulaC21H14ClN3O2S
Molecular Weight407.88 g/mol
Exact Mass407.05
IUPAC Name8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
SMILESOc1c(Cc2ccco2)nc2c(-c3sccc3Cl)nc(-c3ccccc3)cn12
InChIInChI=1S/C21H14ClN3O2S/c22-15-8-10-28-19(15)18-20-24-16(11-14-7-4-9-27-14)21(26)25(20)12-17(23-18)13-5-2-1-3-6-13/h1-10,12,26H,11H2
InChIKeyBZYBQDJWMGZASB-UHFFFAOYSA-N
XLogP5.67
TPSA63.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-benzyl-2-[(furan-2-yl)methyl]-6-phenyl-3H,7H-imidazo[1,2-a]pyrazin-3-one
CID 136008305
N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
CID 49778697
Methyl 2-[[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxymethyl]benzoate
CID 49790530
6-Chloro-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51361273
1-(4-Fluorophenyl)-2-[2-methyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridin-8-yl]oxyethanone
CID 46948287
N-[8-[(4-chlorophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
CID 49789849
Hydrofurimazine
CID 137285375
8-benzyl-6-(2-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 137314688
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
8-(2-fluorobenzyl)-6-(2-fluorophenyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3(7H)-one
CID 166607094

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The IUPAC name of 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol (CID 137285371) is 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol.
What is the SMILES notation for 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The canonical SMILES for 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol is Oc1c(Cc2ccco2)nc2c(-c3sccc3Cl)nc(-c3ccccc3)cn12.
What is the InChIKey of 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol?
The InChIKey is BZYBQDJWMGZASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2S/c22-15-8-10-28-19(15)18-20-24-16(11-14-7-4-9-27-14)21(26)25(20)12-17(23-18)13-5-2-1-3-6-13/h1-10,12,26H,11H2.
What are the key properties of 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol?
8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol has a molecular weight of 407.88 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorothiophen-2-yl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol is sourced from PubChem (CID 137285371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).