N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C28H33N3O4 — CID 46274232

IUPACN-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C28H33N3O4/c1-3-34-22-13-11-20(12-14-22)18-31-26(32)24-16-15-23(25-10-7-17-35-25)30(24)19-28(31,2)27(33)29-21-8-5-4-6-9-21/h7,10-17,21H,3-6,8-9,18-19H2,1-2H3,(H,29,33)
InChIKeyOFZANAGZUYMCLF-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.01
Rot. Bonds7

About N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274232) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274232
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C28H33N3O4/c1-3-34-22-13-11-20(12-14-22)18-31-26(32)24-16-15-23(25-10-7-17-35-25)30(24)19-28(31,2)27(33)29-21-8-5-4-6-9-21/h7,10-17,21H,3-6,8-9,18-19H2,1-2H3,(H,29,33)
InChIKeyOFZANAGZUYMCLF-UHFFFAOYSA-N
XLogP5.01
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274232) is N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CCOc1ccc(CN2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is OFZANAGZUYMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-3-34-22-13-11-20(12-14-22)18-31-26(32)24-16-15-23(25-10-7-17-35-25)30(24)19-28(31,2)27(33)29-21-8-5-4-6-9-21/h7,10-17,21H,3-6,8-9,18-19H2,1-2H3,(H,29,33).
What are the key properties of N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).