3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine

C99H100F2N18O11S7 — CID 160919662

About 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine

3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 160919662) has the molecular formula C99H100F2N18O11S7 and a molecular weight of 1980.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine
• PubChem CID: 160919662
• Molecular Formula: C99H100F2N18O11S7
• Molecular Weight: 1980.47 g/mol
• Exact Mass: 1978.58
• IUPAC Name: 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(F)nc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4F)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccsc4)c3n2)cc1.Cc1ccc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)s1.Cc1noc(C)c1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C20H17FN4O2S.C20H20N4O3S.C20H19N3O2S2.C19H17N3O2S2.5H2/c1-12(2)28(26,27)15-6-3-13(4-7-15)17-11-24-20-19(25-17)16(10-23-20)14-5-8-18(21)22-9-14;1-12(2)28(26,27)14-7-5-13(6-8-14)17-11-24-20-18(25-17)16(10-23-20)15-4-3-9-22-19(15)21;1-11(2)28(25,26)15-7-5-14(6-8-15)17-10-22-20-19(23-17)16(9-21-20)18-12(3)24-27-13(18)4;1-12(2)27(24,25)15-7-5-14(6-8-15)17-11-22-20-19(23-17)16(10-21-20)18-9-4-13(3)26-18;1-12(2)26(23,24)15-5-3-13(4-6-15)17-10-21-19-18(22-17)16(9-20-19)14-7-8-25-11-14;;;;;/h2*3-12H,1-2H3,(H,23,24);5-11H,1-4H3,(H,21,22);4-12H,1-3H3,(H,21,22);3-12H,1-2H3,(H,20,21);5*1H
• InChIKey: SRVYRNCVYUNSRD-UHFFFAOYSA-N
• XLogP: 22.70
• TPSA: 430.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1980.47
LogP ≤ 5	22.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine?

The IUPAC name of 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine (CID 160919662) is 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine.

What is the SMILES notation for 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine?

The canonical SMILES for 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(F)nc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4cccnc4F)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccsc4)c3n2)cc1.Cc1ccc(-c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)s1.Cc1noc(C)c1-c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine?

The InChIKey is SRVYRNCVYUNSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17FN4O2S.C20H20N4O3S.C20H19N3O2S2.C19H17N3O2S2.5H2/c1-12(2)28(26,27)15-6-3-13(4-7-15)17-11-24-20-19(25-17)16(10-23-20)14-5-8-18(21)22-9-14;1-12(2)28(26,27)14-7-5-13(6-8-14)17-11-24-20-18(25-17)16(10-23-20)15-4-3-9-22-19(15)21;1-11(2)28(25,26)15-7-5-14(6-8-15)17-10-22-20-19(23-17)16(9-21-20)18-12(3)24-27-13(18)4;1-12(2)27(24,25)15-7-5-14(6-8-15)17-11-22-20-19(23-17)16(10-21-20)18-9-4-13(3)26-18;1-12(2)26(23,24)15-5-3-13(4-6-15)17-10-21-19-18(22-17)16(9-20-19)14-7-8-25-11-14;;;;;/h2*3-12H,1-2H3,(H,23,24);5-11H,1-4H3,(H,21,22);4-12H,1-3H3,(H,21,22);3-12H,1-2H3,(H,20,21);5*1H.

What are the key properties of 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine?

3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 1980.47 g/mol, XLogP of 22.70, 20 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1,2-oxazole;7-(2-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(6-fluoro-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;7-(5-methylthiophen-2-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-7-thiophen-3-yl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 160919662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).