N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide

C21H20N4O3S — CID 161400958

IUPACN-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2Cc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C21H20N4O3S/c1-14-10-19(25-9-8-22-21(26)20(14)25)17-12-16(24-29(2,27)28)13-23-18(17)11-15-6-4-3-5-7-15/h3-10,12-13,24H,11H2,1-2H3,(H,22,26)
InChIKeyNFFBEKINPDFXQY-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.96
Rot. Bonds5

About N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide

N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 161400958) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
PubChem CID161400958
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2Cc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C21H20N4O3S/c1-14-10-19(25-9-8-22-21(26)20(14)25)17-12-16(24-29(2,27)28)13-23-18(17)11-15-6-4-3-5-7-15/h3-10,12-13,24H,11H2,1-2H3,(H,22,26)
InChIKeyNFFBEKINPDFXQY-UHFFFAOYSA-N
XLogP2.96
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 139341571
N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide
CID 165437019
N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxyphenyl]ethanesulfonamide
CID 139341535
6-[2-(4-chlorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341569
N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 139341508
4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
CID 139341564
6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341838
6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
CID 159625580
N-[1-(2-phenylethyl)benzimidazol-5-yl]methanesulfonamide
CID 17139121
N-[6-[2-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]-3-pyridinyl]methanesulfonamide
CID 67070024
N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 11462489
N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
CID 90018711

Frequently Asked Questions

What is the IUPAC name of N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide (CID 161400958) is N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Cc2ccccc2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is NFFBEKINPDFXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-14-10-19(25-9-8-22-21(26)20(14)25)17-12-16(24-29(2,27)28)13-23-18(17)11-15-6-4-3-5-7-15/h3-10,12-13,24H,11H2,1-2H3,(H,22,26).
What are the key properties of N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide?
N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 161400958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).