ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate

C24H23FN2O4 — CID 68864638

IUPACethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cn2c(c1OCc1ccccc1)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C24H23FN2O4/c1-2-30-24(29)20-15-26-12-13-27(14-17-8-10-19(25)11-9-17)23(28)21(26)22(20)31-16-18-6-4-3-5-7-18/h3-11,15H,2,12-14,16H2,1H3
InChIKeyGBVBPHVCGQGSLC-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.04
Rot. Bonds7

About ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate

ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate (PubChem CID 68864638) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
PubChem CID68864638
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Nameethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate
SMILESCCOC(=O)c1cn2c(c1OCc1ccccc1)C(=O)N(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C24H23FN2O4/c1-2-30-24(29)20-15-26-12-13-27(14-17-8-10-19(25)11-9-17)23(28)21(26)22(20)31-16-18-6-4-3-5-7-18/h3-11,15H,2,12-14,16H2,1H3
InChIKeyGBVBPHVCGQGSLC-UHFFFAOYSA-N
XLogP4.04
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate (CID 68864638) is ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate is CCOC(=O)c1cn2c(c1OCc1ccccc1)C(=O)N(Cc1ccc(F)cc1)CC2.
What is the InChIKey of ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is GBVBPHVCGQGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-2-30-24(29)20-15-26-12-13-27(14-17-8-10-19(25)11-9-17)23(28)21(26)22(20)31-16-18-6-4-3-5-7-18/h3-11,15H,2,12-14,16H2,1H3.
What are the key properties of ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate?
ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 422.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluorophenyl)methyl]-1-oxo-8-phenylmethoxy-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 68864638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).