[8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate

C55H47N7O5 — CID 135368446

IUPAC[8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2cc(C)c(C)o2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.CC(=O)Oc1c(Cc2ccccn2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C28H25N3O3.C27H22N4O2/c1-18-14-23(33-19(18)2)16-25-28(34-20(3)32)31-17-26(22-12-8-5-9-13-22)29-24(27(31)30-25)15-21-10-6-4-7-11-21;1-19(32)33-27-24(17-22-14-8-9-15-28-22)30-26-23(16-20-10-4-2-5-11-20)29-25(18-31(26)27)21-12-6-3-7-13-21/h4-14,17H,15-16H2,1-3H3;2-15,18H,16-17H2,1H3
InChIKeyDVWDVEXEBOASDX-UHFFFAOYSA-N
MW886.03 g/mol
LogP10.61
Rot. Bonds12

About [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate

[8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135368446) has the molecular formula C55H47N7O5 and a molecular weight of 886.03 g/mol. Its IUPAC name is [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID135368446
Molecular FormulaC55H47N7O5
Molecular Weight886.03 g/mol
Exact Mass885.36
IUPAC Name[8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2cc(C)c(C)o2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.CC(=O)Oc1c(Cc2ccccn2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C28H25N3O3.C27H22N4O2/c1-18-14-23(33-19(18)2)16-25-28(34-20(3)32)31-17-26(22-12-8-5-9-13-22)29-24(27(31)30-25)15-21-10-6-4-7-11-21;1-19(32)33-27-24(17-22-14-8-9-15-28-22)30-26-23(16-20-10-4-2-5-11-20)29-25(18-31(26)27)21-12-6-3-7-13-21/h4-14,17H,15-16H2,1-3H3;2-15,18H,16-17H2,1H3
InChIKeyDVWDVEXEBOASDX-UHFFFAOYSA-N
XLogP10.61
TPSA139.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500886.03
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate (CID 135368446) is [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2cc(C)c(C)o2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.CC(=O)Oc1c(Cc2ccccn2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.
What is the InChIKey of [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is DVWDVEXEBOASDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3.C27H22N4O2/c1-18-14-23(33-19(18)2)16-25-28(34-20(3)32)31-17-26(22-12-8-5-9-13-22)29-24(27(31)30-25)15-21-10-6-4-7-11-21;1-19(32)33-27-24(17-22-14-8-9-15-28-22)30-26-23(16-20-10-4-2-5-11-20)29-25(18-31(26)27)21-12-6-3-7-13-21/h4-14,17H,15-16H2,1-3H3;2-15,18H,16-17H2,1H3.
What are the key properties of [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate?
[8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 886.03 g/mol, XLogP of 10.61, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [8-benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135368446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).