6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

C20H15F2N3O4S — CID 139341584

IUPAC6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H15F2N3O4S/c1-11-7-16(25-6-5-23-19(26)18(11)25)14-9-13(30(2,27)28)10-24-20(14)29-17-4-3-12(21)8-15(17)22/h3-10H,1-2H3,(H,23,26)
InChIKeyQTKXRTXDKCFCNC-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.47
Rot. Bonds4

About 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 139341584) has the molecular formula C20H15F2N3O4S and a molecular weight of 431.42 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID139341584
Molecular FormulaC20H15F2N3O4S
Molecular Weight431.42 g/mol
Exact Mass431.08
IUPAC Name6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
InChIInChI=1S/C20H15F2N3O4S/c1-11-7-16(25-6-5-23-19(26)18(11)25)14-9-13(30(2,27)28)10-24-20(14)29-17-4-3-12(21)8-15(17)22/h3-10H,1-2H3,(H,23,26)
InChIKeyQTKXRTXDKCFCNC-UHFFFAOYSA-N
XLogP3.47
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one with MolForge

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Related Compounds

Gsk2801
CID 73010930
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CID 146047136
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CID 86287690
4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
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6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341572
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CID 71615944
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CID 70680609
4-[2-(2,4-difluorophenoxy)-5-ethylsulfonylphenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155523560
N-ethyl-4-[5-ethylsulfonyl-2-(2-fluoro-6-methylphenoxy)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155523758
1,6-Dihydro-6-methyl-4-[5-(methylsulfonyl)-2-phenoxyphenyl]-7H-pyrrolo[2,3-c]pyridin-7-one
CID 71617219
3-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 78319129
3-[2-(2,4-difluorophenoxy)-5-(methylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 86287958

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 139341584) is 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is Cc1cc(-c2cc(S(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12.
What is the InChIKey of 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is QTKXRTXDKCFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O4S/c1-11-7-16(25-6-5-23-19(26)18(11)25)14-9-13(30(2,27)28)10-24-20(14)29-17-4-3-12(21)8-15(17)22/h3-10H,1-2H3,(H,23,26).
What are the key properties of 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 431.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenoxy)-5-methylsulfonyl-3-pyridinyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 139341584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).