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

C21H18F2N4O4S — CID 139341727

IUPAC6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
InChIInChI=1S/C21H18F2N4O4S/c1-12-8-17(27-7-6-24-20(28)19(12)27)15-10-14(32(29,30)26(2)3)11-25-21(15)31-18-5-4-13(22)9-16(18)23/h4-11H,1-3H3,(H,24,28)
InChIKeyAMUSRMDMTFQPQM-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.32
Rot. Bonds5

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

6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide (PubChem CID 139341727) has the molecular formula C21H18F2N4O4S and a molecular weight of 460.46 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
PubChem CID139341727
Molecular FormulaC21H18F2N4O4S
Molecular Weight460.46 g/mol
Exact Mass460.10
IUPAC Name6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
SMILESCc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
InChIInChI=1S/C21H18F2N4O4S/c1-12-8-17(27-7-6-24-20(28)19(12)27)15-10-14(32(29,30)26(2)3)11-25-21(15)31-18-5-4-13(22)9-16(18)23/h4-11H,1-3H3,(H,24,28)
InChIKeyAMUSRMDMTFQPQM-UHFFFAOYSA-N
XLogP3.32
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 86287690
6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
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N-[5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-6-phenoxy-3-pyridinyl]methanesulfonamide
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2,2,2-trifluoro-N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]ethanesulfonamide
CID 71616301
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
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CID 71616989
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-(2,4,6-trifluorophenoxy)phenyl]ethanesulfonamide
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3-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 78319129
N-[4-(2,4-difluorophenoxy)-3-(1-methyl-7-oxo-6H-pyrrolo[2,3-c]pyridin-3-yl)phenyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide (CID 139341727) is 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide is Cc1cc(-c2cc(S(=O)(=O)N(C)C)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.
What is the InChIKey of 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide?
The InChIKey is AMUSRMDMTFQPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O4S/c1-12-8-17(27-7-6-24-20(28)19(12)27)15-10-14(32(29,30)26(2)3)11-25-21(15)31-18-5-4-13(22)9-16(18)23/h4-11H,1-3H3,(H,24,28).
What are the key properties of 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide?
6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide has a molecular weight of 460.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 139341727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).