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

C25H27N3O3S — CID 46274314

IUPACN-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCSc1cccc(N2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C25H27N3O3S/c1-25(24(30)26-17-7-3-4-8-17)16-27-20(22-11-6-14-31-22)12-13-21(27)23(29)28(25)18-9-5-10-19(15-18)32-2/h5-6,9-15,17H,3-4,7-8,16H2,1-2H3,(H,26,30)
InChIKeyYOIFXCXJYBQVIP-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.95
Rot. Bonds5

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

N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274314) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274314
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCSc1cccc(N2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C25H27N3O3S/c1-25(24(30)26-17-7-3-4-8-17)16-27-20(22-11-6-14-31-22)12-13-21(27)23(29)28(25)18-9-5-10-19(15-18)32-2/h5-6,9-15,17H,3-4,7-8,16H2,1-2H3,(H,26,30)
InChIKeyYOIFXCXJYBQVIP-UHFFFAOYSA-N
XLogP4.95
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274314) is N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CSc1cccc(N2C(=O)c3ccc(-c4ccco4)n3CC2(C)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is YOIFXCXJYBQVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-25(24(30)26-17-7-3-4-8-17)16-27-20(22-11-6-14-31-22)12-13-21(27)23(29)28(25)18-9-5-10-19(15-18)32-2/h5-6,9-15,17H,3-4,7-8,16H2,1-2H3,(H,26,30).
What are the key properties of N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-(3-methylsulfanylphenyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).