[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate

C29H27N3O5 — CID 137398828

IUPAC[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)OCOc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C29H27N3O5/c1-29(2,34)28(33)37-19-36-27-24(17-22-14-9-15-35-22)31-26-23(16-20-10-5-3-6-11-20)30-25(18-32(26)27)21-12-7-4-8-13-21/h3-15,18,34H,16-17,19H2,1-2H3
InChIKeyAZKSVWBIXGJPMT-UHFFFAOYSA-N
MW497.55 g/mol
LogP4.82
Rot. Bonds9

About [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate

[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate (PubChem CID 137398828) has the molecular formula C29H27N3O5 and a molecular weight of 497.55 g/mol. Its IUPAC name is [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate
PubChem CID137398828
Molecular FormulaC29H27N3O5
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC Name[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)OCOc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
InChIInChI=1S/C29H27N3O5/c1-29(2,34)28(33)37-19-36-27-24(17-22-14-9-15-35-22)31-26-23(16-20-10-5-3-6-11-20)30-25(18-32(26)27)21-12-7-4-8-13-21/h3-15,18,34H,16-17,19H2,1-2H3
InChIKeyAZKSVWBIXGJPMT-UHFFFAOYSA-N
XLogP4.82
TPSA99.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate?
The IUPAC name of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate (CID 137398828) is [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate is CC(C)(O)C(=O)OCOc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.
What is the InChIKey of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate?
The InChIKey is AZKSVWBIXGJPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5/c1-29(2,34)28(33)37-19-36-27-24(17-22-14-9-15-35-22)31-26-23(16-20-10-5-3-6-11-20)30-25(18-32(26)27)21-12-7-4-8-13-21/h3-15,18,34H,16-17,19H2,1-2H3.
What are the key properties of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate?
[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate has a molecular weight of 497.55 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 137398828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).