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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).