N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide

C20H19N5O3S — CID 24985191

IUPACN-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ncc(-c3ccc(NS(C)(=O)=O)cc3)nc21
InChIInChI=1S/C20H19N5O3S/c1-13(14-6-4-3-5-7-14)25-19-18(23-20(25)26)21-12-17(22-19)15-8-10-16(11-9-15)24-29(2,27)28/h3-13,24H,1-2H3,(H,21,23,26)
InChIKeyHDJQSVHBEAPTEU-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.77
Rot. Bonds5

About N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide

N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide (PubChem CID 24985191) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide
PubChem CID24985191
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ncc(-c3ccc(NS(C)(=O)=O)cc3)nc21
InChIInChI=1S/C20H19N5O3S/c1-13(14-6-4-3-5-7-14)25-19-18(23-20(25)26)21-12-17(22-19)15-8-10-16(11-9-15)24-29(2,27)28/h3-13,24H,1-2H3,(H,21,23,26)
InChIKeyHDJQSVHBEAPTEU-UHFFFAOYSA-N
XLogP2.77
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide (CID 24985191) is N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide is CC(c1ccccc1)n1c(=O)[nH]c2ncc(-c3ccc(NS(C)(=O)=O)cc3)nc21.
What is the InChIKey of N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide?
The InChIKey is HDJQSVHBEAPTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13(14-6-4-3-5-7-14)25-19-18(23-20(25)26)21-12-17(22-19)15-8-10-16(11-9-15)24-29(2,27)28/h3-13,24H,1-2H3,(H,21,23,26).
What are the key properties of N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide?
N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 24985191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).