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

C24H27N3O4 — CID 92741572

IUPAC(3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C24H27N3O4/c1-24(23(29)25-16-18-8-4-3-5-9-18)17-26-19(21-10-6-15-31-21)11-12-20(26)22(28)27(24)13-7-14-30-2/h3-6,8-12,15H,7,13-14,16-17H2,1-2H3,(H,25,29)/t24-/m1/s1
InChIKeyHJHXNKJXFSXITR-XMMPIXPASA-N
MW421.50 g/mol
LogP3.32
Rot. Bonds8

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

(3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741572) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741572
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name(3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NCc1ccccc1
InChIInChI=1S/C24H27N3O4/c1-24(23(29)25-16-18-8-4-3-5-9-18)17-26-19(21-10-6-15-31-21)11-12-20(26)22(28)27(24)13-7-14-30-2/h3-6,8-12,15H,7,13-14,16-17H2,1-2H3,(H,25,29)/t24-/m1/s1
InChIKeyHJHXNKJXFSXITR-XMMPIXPASA-N
XLogP3.32
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
(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
(3R)-2-(4-acetamidophenyl)-N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741638
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554264
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
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
(3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741130
(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
(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741259
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274218
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274227

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741572) is (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is COCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NCc1ccccc1.
What is the InChIKey of (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is HJHXNKJXFSXITR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N3O4/c1-24(23(29)25-16-18-8-4-3-5-9-18)17-26-19(21-10-6-15-31-21)11-12-20(26)22(28)27(24)13-7-14-30-2/h3-6,8-12,15H,7,13-14,16-17H2,1-2H3,(H,25,29)/t24-/m1/s1.
What are the key properties of (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).