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

C28H26N4O4 — CID 92741638

IUPAC(3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H26N4O4/c1-19(33)30-21-10-12-22(13-11-21)32-26(34)24-15-14-23(25-9-6-16-36-25)31(24)18-28(32,2)27(35)29-17-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,29,35)(H,30,33)/t28-/m1/s1
InChIKeyDJXPZYBQTREUII-MUUNZHRXSA-N
MW482.54 g/mol
LogP4.44
Rot. Bonds6

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

(3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741638) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741638
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name(3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H26N4O4/c1-19(33)30-21-10-12-22(13-11-21)32-26(34)24-15-14-23(25-9-6-16-36-25)31(24)18-28(32,2)27(35)29-17-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,29,35)(H,30,33)/t28-/m1/s1
InChIKeyDJXPZYBQTREUII-MUUNZHRXSA-N
XLogP4.44
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274448
(3S)-N-[(4-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741651
(3S)-N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741653
(6S)-5-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062978
(3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741572
(3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741576
N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274477
(3S)-N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741607
(3R)-N-[(4-chlorophenyl)methyl]-2-[[4-(dimethylamino)phenyl]methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741606
N-[(4-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274462
(6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062881
(3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741588

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741638) is (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC(=O)Nc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is DJXPZYBQTREUII-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-19(33)30-21-10-12-22(13-11-21)32-26(34)24-15-14-23(25-9-6-16-36-25)31(24)18-28(32,2)27(35)29-17-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,29,35)(H,30,33)/t28-/m1/s1.
What are the key properties of (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).