ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate

C23H24N2O2 — CID 134999030

IUPACethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)c(C(C)C)nc1C
InChIInChI=1S/C23H24N2O2/c1-5-27-23(26)21-16(4)24-20(15(2)3)22(25-21)19-13-11-18(12-14-19)17-9-7-6-8-10-17/h6-15H,5H2,1-4H3
InChIKeyGBODCOOJXLCMHJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.42
Rot. Bonds5

About ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate

ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate (PubChem CID 134999030) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate
PubChem CID134999030
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Nameethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)c(C(C)C)nc1C
InChIInChI=1S/C23H24N2O2/c1-5-27-23(26)21-16(4)24-20(15(2)3)22(25-21)19-13-11-18(12-14-19)17-9-7-6-8-10-17/h6-15H,5H2,1-4H3
InChIKeyGBODCOOJXLCMHJ-UHFFFAOYSA-N
XLogP5.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-methyl-6-phenyl-2-propan-2-ylpyridine-3-carboxylate
CID 116533372
ethyl 4-phenylphthalazine-1-carboxylate
CID 102221733
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
CID 154709525
CID 154709525
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 4-[3-(butan-2-ylamino)propyl]-1-phenylisoquinoline-3-carboxylate
CID 10668146
ethyl 4-amino-8-phenyl-7-propan-2-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 17229086
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate?
The IUPAC name of ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate (CID 134999030) is ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(-c3ccccc3)cc2)c(C(C)C)nc1C.
What is the InChIKey of ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate?
The InChIKey is GBODCOOJXLCMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-5-27-23(26)21-16(4)24-20(15(2)3)22(25-21)19-13-11-18(12-14-19)17-9-7-6-8-10-17/h6-15H,5H2,1-4H3.
What are the key properties of ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate?
ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate has a molecular weight of 360.46 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-6-(4-phenylphenyl)-5-propan-2-ylpyrazine-2-carboxylate is sourced from PubChem (CID 134999030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).