N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide

C20H19N5O3S — CID 165437019

IUPACN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Nc2cccnc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H19N5O3S/c1-13-10-18(25-9-8-22-20(26)19(13)25)16-11-14(24-29(2,27)28)5-6-17(16)23-15-4-3-7-21-12-15/h3-12,23-24H,1-2H3,(H,22,26)
InChIKeyWAQASCYPECRZFC-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.11
Rot. Bonds5

About N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide

N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide (PubChem CID 165437019) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide
PubChem CID165437019
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Nc2cccnc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H19N5O3S/c1-13-10-18(25-9-8-22-20(26)19(13)25)16-11-14(24-29(2,27)28)5-6-17(16)23-15-4-3-7-21-12-15/h3-12,23-24H,1-2H3,(H,22,26)
InChIKeyWAQASCYPECRZFC-UHFFFAOYSA-N
XLogP3.11
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 161400958
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-phenoxyphenyl]ethanesulfonamide
CID 139341535
N-[3-(5-methyl-6-oxo-1H-pyridin-3-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
CID 90018711
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-[3-(1H-indol-4-yl)-5-(pyridin-3-ylamino)phenyl]methanesulfonamide
CID 15603084
N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]methanesulfonamide
CID 7524262
N-(2-imidazol-1-yl-4-methylphenyl)pyridin-3-amine
CID 91456569
6-[2-(4-chlorophenoxy)-5-(methylsulfonylmethyl)-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341569
6-[2-(2,6-dimethylphenoxy)-5-ethylsulfonylphenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341838
ethane;N-(2-methylphenyl)pyridin-3-amine
CID 143449341
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide (CID 165437019) is N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Nc2cccnc2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide?
The InChIKey is WAQASCYPECRZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-10-18(25-9-8-22-20(26)19(13)25)16-11-14(24-29(2,27)28)5-6-17(16)23-15-4-3-7-21-12-15/h3-12,23-24H,1-2H3,(H,22,26).
What are the key properties of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide?
N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 165437019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).