(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

C28H26ClN3O3 — CID 92741651

IUPAC(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
SMILESCc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C28H26ClN3O3/c1-18-6-11-22(15-19(18)2)32-26(33)24-13-12-23(25-5-4-14-35-25)31(24)17-28(32,3)27(34)30-16-20-7-9-21(29)10-8-20/h4-15H,16-17H2,1-3H3,(H,30,34)/t28-/m0/s1
InChIKeyYGDHJSCLBPJYIB-NDEPHWFRSA-N
MW487.99 g/mol
LogP5.75
Rot. Bonds5

About (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

(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 (PubChem CID 92741651) has the molecular formula C28H26ClN3O3 and a molecular weight of 487.99 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92741651
Molecular FormulaC28H26ClN3O3
Molecular Weight487.99 g/mol
Exact Mass487.17
IUPAC Name(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
SMILESCc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C28H26ClN3O3/c1-18-6-11-22(15-19(18)2)32-26(33)24-13-12-23(25-5-4-14-35-25)31(24)17-28(32,3)27(34)30-16-20-7-9-21(29)10-8-20/h4-15H,16-17H2,1-3H3,(H,30,34)/t28-/m0/s1
InChIKeyYGDHJSCLBPJYIB-NDEPHWFRSA-N
XLogP5.75
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(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
(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-[(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
(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
(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
(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
N-benzyl-6-(furan-2-yl)-3-methyl-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274448
(6S)-5-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062964
(6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063015
(3R)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741572

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(N2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of (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?
The InChIKey is YGDHJSCLBPJYIB-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H26ClN3O3/c1-18-6-11-22(15-19(18)2)32-26(33)24-13-12-23(25-5-4-14-35-25)31(24)17-28(32,3)27(34)30-16-20-7-9-21(29)10-8-20/h4-15H,16-17H2,1-3H3,(H,30,34)/t28-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 487.99 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92741651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).