5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine

C27H24N4O4S2 — CID 66764195

IUPAC5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cccnc3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1
InChIInChI=1S/C27H24N4O4S2/c1-18(2)36(32,33)22-12-8-20(9-13-22)25-16-29-27-26(30-25)24(21-5-4-14-28-15-21)17-31(27)37(34,35)23-10-6-19(3)7-11-23/h4-18H,1-3H3
InChIKeyVGRJXWWNJYDJIT-UHFFFAOYSA-N
MW532.65 g/mol
LogP4.89
Rot. Bonds6

About 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine

5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine (PubChem CID 66764195) has the molecular formula C27H24N4O4S2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine
PubChem CID66764195
Molecular FormulaC27H24N4O4S2
Molecular Weight532.65 g/mol
Exact Mass532.12
IUPAC Name5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cccnc3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1
InChIInChI=1S/C27H24N4O4S2/c1-18(2)36(32,33)22-12-8-20(9-13-22)25-16-29-27-26(30-25)24(21-5-4-14-28-15-21)17-31(27)37(34,35)23-10-6-19(3)7-11-23/h4-18H,1-3H3
InChIKeyVGRJXWWNJYDJIT-UHFFFAOYSA-N
XLogP4.89
TPSA111.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.65
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]acetamide
CID 135145512
7-imidazo[1,2-a]pyridin-6-yl-2-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 175594909
4-(3-aminophenyl)-1-(4-methylphenyl)sulfonyl-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 142693986
5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]isoquinoline
CID 66763350
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151
2-methyl-2-[4-[1-(4-methylphenyl)sulfonyl-5-phenylpyrrolo[2,3-b]pyridin-3-yl]phenyl]propanoic acid
CID 135062758
N,N-dimethyl-4-[5-(4-methylphenyl)sulfonyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 163283105
4-fluoro-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 146169459
2,3-dimethyl-4-[5-(4-methylphenyl)sulfonyl-2-(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)pyrrolo[2,3-b]pyrazin-7-yl]benzamide;hydrochloride
CID 175560879
4-[2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-7-yl]-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 163283092
12-fluoro-8-(4-methylphenyl)sulfonyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58354613
tert-butyl 3-[6-[7-[4-(dimethylcarbamoyl)phenyl]-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
CID 171755920

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine (CID 66764195) is 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine is Cc1ccc(S(=O)(=O)n2cc(-c3cccnc3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine?
The InChIKey is VGRJXWWNJYDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4S2/c1-18(2)36(32,33)22-12-8-20(9-13-22)25-16-29-27-26(30-25)24(21-5-4-14-28-15-21)17-31(27)37(34,35)23-10-6-19(3)7-11-23/h4-18H,1-3H3.
What are the key properties of 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine?
5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine has a molecular weight of 532.65 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 66764195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).