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

C20H18N4O4S — CID 155565352

IUPACN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccn2)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H18N4O4S/c1-13-11-16(24-10-9-22-20(25)19(13)24)15-12-14(23-29(2,26)27)6-7-17(15)28-18-5-3-4-8-21-18/h3-12,23H,1-2H3,(H,22,25)
InChIKeyTWGPDPFDUYJNSJ-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.16
Rot. Bonds5

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

N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide (PubChem CID 155565352) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide
PubChem CID155565352
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccn2)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H18N4O4S/c1-13-11-16(24-10-9-22-20(25)19(13)24)15-12-14(23-29(2,26)27)6-7-17(15)28-18-5-3-4-8-21-18/h3-12,23H,1-2H3,(H,22,25)
InChIKeyTWGPDPFDUYJNSJ-UHFFFAOYSA-N
XLogP3.16
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-2-yloxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide (CID 155565352) is N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccn2)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-2-yloxyphenyl]methanesulfonamide?
The InChIKey is TWGPDPFDUYJNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-13-11-16(24-10-9-22-20(25)19(13)24)15-12-14(23-29(2,26)27)6-7-17(15)28-18-5-3-4-8-21-18/h3-12,23H,1-2H3,(H,22,25).
What are the key properties of N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide?
N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-pyridin-2-yloxyphenyl]methanesulfonamide has a molecular weight of 410.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 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-2-yloxyphenyl]methanesulfonamide is sourced from PubChem (CID 155565352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).