methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate

C28H28N4O4 — CID 146072629

IUPACmethyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate
SMILESCOC(=O)c1cccc(CCNC(=O)c2cn3c(n2)C(c2ccccc2)N(Cc2ccoc2)CC3)c1
InChIInChI=1S/C28H28N4O4/c1-35-28(34)23-9-5-6-20(16-23)10-12-29-27(33)24-18-32-14-13-31(17-21-11-15-36-19-21)25(26(32)30-24)22-7-3-2-4-8-22/h2-9,11,15-16,18-19,25H,10,12-14,17H2,1H3,(H,29,33)
InChIKeySPIUCEPGKZHZSE-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.84
Rot. Bonds8

About methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate

methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate (PubChem CID 146072629) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate
PubChem CID146072629
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Namemethyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate
SMILESCOC(=O)c1cccc(CCNC(=O)c2cn3c(n2)C(c2ccccc2)N(Cc2ccoc2)CC3)c1
InChIInChI=1S/C28H28N4O4/c1-35-28(34)23-9-5-6-20(16-23)10-12-29-27(33)24-18-32-14-13-31(17-21-11-15-36-19-21)25(26(32)30-24)22-7-3-2-4-8-22/h2-9,11,15-16,18-19,25H,10,12-14,17H2,1H3,(H,29,33)
InChIKeySPIUCEPGKZHZSE-UHFFFAOYSA-N
XLogP3.84
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate with MolForge

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Related Compounds

methyl 3-[[(7-hex-5-ynoyl-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)amino]methyl]benzoate
CID 146072805
formic acid;3-[[[7-(2-phenoxyethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]methyl]benzoic acid
CID 155882575
(8S)-7-(furan-3-ylmethyl)-N,N,8-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124809787
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
2-[(8R)-7-(furan-3-ylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 124790256
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
3-[2-[(2-cyclopentylpyrazole-3-carbonyl)amino]ethyl]benzoic acid
CID 120535538
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
1-[2-(3-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123341
methyl 3-[2-(methylamino)ethyl]benzoate
CID 59419935
3-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]benzoic acid
CID 63793346
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate?
The IUPAC name of methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate (CID 146072629) is methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate is COC(=O)c1cccc(CCNC(=O)c2cn3c(n2)C(c2ccccc2)N(Cc2ccoc2)CC3)c1.
What is the InChIKey of methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate?
The InChIKey is SPIUCEPGKZHZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-35-28(34)23-9-5-6-20(16-23)10-12-29-27(33)24-18-32-14-13-31(17-21-11-15-36-19-21)25(26(32)30-24)22-7-3-2-4-8-22/h2-9,11,15-16,18-19,25H,10,12-14,17H2,1H3,(H,29,33).
What are the key properties of methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate?
methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate has a molecular weight of 484.56 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[[7-(furan-3-ylmethyl)-8-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]amino]ethyl]benzoate is sourced from PubChem (CID 146072629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).