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

C29H29N3O5 — CID 92741576

IUPAC(3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)c1OC
InChIInChI=1S/C29H29N3O5/c1-29(28(34)30-17-20-9-5-4-6-10-20)19-31-22(24-13-8-16-37-24)14-15-23(31)27(33)32(29)18-21-11-7-12-25(35-2)26(21)36-3/h4-16H,17-19H2,1-3H3,(H,30,34)/t29-/m1/s1
InChIKeyGLCPHHJMXBOMFK-GDLZYMKVSA-N
MW499.57 g/mol
LogP4.50
Rot. Bonds8

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

(3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741576) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is (3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741576
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name(3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)c1OC
InChIInChI=1S/C29H29N3O5/c1-29(28(34)30-17-20-9-5-4-6-10-20)19-31-22(24-13-8-16-37-24)14-15-23(31)27(33)32(29)18-21-11-7-12-25(35-2)26(21)36-3/h4-16H,17-19H2,1-3H3,(H,30,34)/t29-/m1/s1
InChIKeyGLCPHHJMXBOMFK-GDLZYMKVSA-N
XLogP4.50
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741572
N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274316
N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554270
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741333
N-cyclohexyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274220
N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274362
6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274270
(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
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
(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-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 46275829

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (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) is (3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is COc1cccc(CN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NCc2ccccc2)c1OC.
What is the InChIKey of (3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is GLCPHHJMXBOMFK-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-29(28(34)30-17-20-9-5-4-6-10-20)19-31-22(24-13-8-16-37-24)14-15-23(31)27(33)32(29)18-21-11-7-12-25(35-2)26(21)36-3/h4-16H,17-19H2,1-3H3,(H,30,34)/t29-/m1/s1.
What are the key properties of (3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-2-[(2,3-dimethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).