(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

C28H24ClN3O5 — CID 92741588

IUPAC(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
SMILESC[C@]1(C(=O)NCc2ccc(Cl)cc2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C28H24ClN3O5/c1-28(27(34)30-14-18-4-7-20(29)8-5-18)16-31-21(23-3-2-12-35-23)9-10-22(31)26(33)32(28)15-19-6-11-24-25(13-19)37-17-36-24/h2-13H,14-17H2,1H3,(H,30,34)/t28-/m1/s1
InChIKeyOXVTVIBSQFPPHA-MUUNZHRXSA-N
MW517.97 g/mol
LogP4.86
Rot. Bonds6

About (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

(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 (PubChem CID 92741588) has the molecular formula C28H24ClN3O5 and a molecular weight of 517.97 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92741588
Molecular FormulaC28H24ClN3O5
Molecular Weight517.97 g/mol
Exact Mass517.14
IUPAC Name(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
SMILESC[C@]1(C(=O)NCc2ccc(Cl)cc2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C28H24ClN3O5/c1-28(27(34)30-14-18-4-7-20(29)8-5-18)16-31-21(23-3-2-12-35-23)9-10-22(31)26(33)32(28)15-19-6-11-24-25(13-19)37-17-36-24/h2-13H,14-17H2,1H3,(H,30,34)/t28-/m1/s1
InChIKeyOXVTVIBSQFPPHA-MUUNZHRXSA-N
XLogP4.86
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.97
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741216
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)-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-chlorophenyl)methyl]-N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704978
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)-N-benzyl-6-(furan-2-yl)-2-(3-methoxypropyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741572
6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274401
ethyl 2-[[(3S)-2-[(2-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carbonyl]amino]acetate
CID 92741540

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@]1(C(=O)NCc2ccc(Cl)cc2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2.
What is the InChIKey of (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?
The InChIKey is OXVTVIBSQFPPHA-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H24ClN3O5/c1-28(27(34)30-14-18-4-7-20(29)8-5-18)16-31-21(23-3-2-12-35-23)9-10-22(31)26(33)32(28)15-19-6-11-24-25(13-19)37-17-36-24/h2-13H,14-17H2,1H3,(H,30,34)/t28-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 517.97 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92741588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).