N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide

C20H16F2N4O4S — CID 139341570

IUPACN-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H16F2N4O4S/c1-11-7-16(26-6-5-23-19(27)18(11)26)14-9-13(25-31(2,28)29)10-24-20(14)30-17-4-3-12(21)8-15(17)22/h3-10,25H,1-2H3,(H,23,27)
InChIKeyAAENFZKMGPEDRU-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.44
Rot. Bonds5

About N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide

N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 139341570) has the molecular formula C20H16F2N4O4S and a molecular weight of 446.44 g/mol. Its IUPAC name is N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
PubChem CID139341570
Molecular FormulaC20H16F2N4O4S
Molecular Weight446.44 g/mol
Exact Mass446.09
IUPAC NameN-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H16F2N4O4S/c1-11-7-16(26-6-5-23-19(27)18(11)26)14-9-13(25-31(2,28)29)10-24-20(14)30-17-4-3-12(21)8-15(17)22/h3-10,25H,1-2H3,(H,23,27)
InChIKeyAAENFZKMGPEDRU-UHFFFAOYSA-N
XLogP3.44
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide (CID 139341570) is N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.
What is the InChIKey of N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is AAENFZKMGPEDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O4S/c1-11-7-16(26-6-5-23-19(27)18(11)26)14-9-13(25-31(2,28)29)10-24-20(14)30-17-4-3-12(21)8-15(17)22/h3-10,25H,1-2H3,(H,23,27).
What are the key properties of N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide?
N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 446.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 139341570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).