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

C20H18N4O4S — CID 139341563

IUPACN-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H18N4O4S/c1-13-10-17(24-9-8-21-19(25)18(13)24)16-11-14(23-29(2,26)27)12-22-20(16)28-15-6-4-3-5-7-15/h3-12,23H,1-2H3,(H,21,25)
InChIKeyGLGUGFAWDMBTAM-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.16
Rot. Bonds5

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

N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide (PubChem CID 139341563) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
PubChem CID139341563
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC NameN-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H18N4O4S/c1-13-10-17(24-9-8-21-19(25)18(13)24)16-11-14(23-29(2,26)27)12-22-20(16)28-15-6-4-3-5-7-15/h3-12,23H,1-2H3,(H,21,25)
InChIKeyGLGUGFAWDMBTAM-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-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide (CID 139341563) is N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)n2cc[nH]c(=O)c12.
What is the InChIKey of N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is GLGUGFAWDMBTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-13-10-17(24-9-8-21-19(25)18(13)24)16-11-14(23-29(2,26)27)12-22-20(16)28-15-6-4-3-5-7-15/h3-12,23H,1-2H3,(H,21,25).
What are the key properties of N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide?
N-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]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-[5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 139341563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).