(2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C30H29N3O7 — CID 57331476

IUPAC(2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](Oc2c(Cc3ccco3)nc3c(Cc4ccccc4)nc(-c4ccccc4)cn23)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C30H29N3O7/c34-17-24-25(35)26(36)27(37)30(39-24)40-29-22(15-20-12-7-13-38-20)32-28-21(14-18-8-3-1-4-9-18)31-23(16-33(28)29)19-10-5-2-6-11-19/h1-13,16,24-27,30,34-37H,14-15,17H2/t24-,25+,26+,27-,30-/m1/s1
InChIKeyRYGXOEZLWTUWDK-RQHKYSNLSA-N
MW543.58 g/mol
LogP2.35
Rot. Bonds8

About (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 57331476) has the molecular formula C30H29N3O7 and a molecular weight of 543.58 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID57331476
Molecular FormulaC30H29N3O7
Molecular Weight543.58 g/mol
Exact Mass543.20
IUPAC Name(2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](Oc2c(Cc3ccco3)nc3c(Cc4ccccc4)nc(-c4ccccc4)cn23)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C30H29N3O7/c34-17-24-25(35)26(36)27(37)30(39-24)40-29-22(15-20-12-7-13-38-20)32-28-21(14-18-8-3-1-4-9-18)31-23(16-33(28)29)19-10-5-2-6-11-19/h1-13,16,24-27,30,34-37H,14-15,17H2/t24-,25+,26+,27-,30-/m1/s1
InChIKeyRYGXOEZLWTUWDK-RQHKYSNLSA-N
XLogP2.35
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.58
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4S,5R,6R)-2-[4-[[8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-yl]oxymethyl]-2-nitrophenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 177487289
[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] N-methyl-N-[2-(methylamino)ethyl]carbamate
CID 134443756
[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate
CID 137379350
8-benzyl-2-(furan-2-ylmethyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyrazin-3-ol
CID 146404031
tris[[8-benzyl-2-(furan-2-ylmethyl)-6-(3-phosphonooxyphenyl)imidazo[1,2-a]pyrazin-3-yl]oxymethyl] phosphate
CID 134327689
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethoxy]oxane-3,4,5-triol
CID 102169491
2-(furan-2-ylmethyl)-6-phenyl-8-pyridin-4-ylimidazo[1,2-a]pyrazin-3-ol
CID 137285364
8-benzyl-2-butyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-(furan-2-ylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-propylimidazo[1,2-a]pyrazin-3-ol
CID 162020671
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
2-(furan-2-ylmethyl)-6-phenyl-8-thiophen-3-ylimidazo[1,2-a]pyrazin-3-ol
CID 137285355

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 57331476) is (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](Oc2c(Cc3ccco3)nc3c(Cc4ccccc4)nc(-c4ccccc4)cn23)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is RYGXOEZLWTUWDK-RQHKYSNLSA-N. The full InChI is InChI=1S/C30H29N3O7/c34-17-24-25(35)26(36)27(37)30(39-24)40-29-22(15-20-12-7-13-38-20)32-28-21(14-18-8-3-1-4-9-18)31-23(16-33(28)29)19-10-5-2-6-11-19/h1-13,16,24-27,30,34-37H,14-15,17H2/t24-,25+,26+,27-,30-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 543.58 g/mol, XLogP of 2.35, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 57331476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).