3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine

C94H88I2N16O14S7 — CID 158306153

About 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine

3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 158306153) has the molecular formula C94H88I2N16O14S7 and a molecular weight of 2144.11 g/mol. Its IUPAC name is 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
• PubChem CID: 158306153
• Molecular Formula: C94H88I2N16O14S7
• Molecular Weight: 2144.11 g/mol
• Exact Mass: 2142.28
• IUPAC Name: 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
• SMILES: C#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(I)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]ccc3n2)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccnc3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1
• InChI: InChI=1S/C27H24N4O4S2.C22H20IN3O4S2.C15H14IN3O2S.2C15H15N3O2S/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;1-14(2)31(27,28)17-10-6-16(7-11-17)20-12-24-22-21(25-20)19(23)13-26(22)32(29,30)18-8-4-15(3)5-9-18;1-9(2)22(20,21)11-5-3-10(4-6-11)13-8-18-15-14(19-13)12(16)7-17-15;1-10(2)21(19,20)12-5-3-11(4-6-12)14-9-17-15-13(18-14)7-8-16-15;1-4-13-15(16)17-9-14(18-13)11-5-7-12(8-6-11)21(19,20)10(2)3/h4-18H,1-3H3;4-14H,1-3H3;3-9H,1-2H3,(H,17,18);3-10H,1-2H3,(H,16,17);1,5-10H,2-3H3,(H2,16,17)
• InChIKey: GNCINERXTKJPEA-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 448.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.11
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?

The IUPAC name of 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 158306153) is 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine.

What is the SMILES notation for 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?

The canonical SMILES for 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine is C#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(I)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]ccc3n2)cc1.Cc1ccc(S(=O)(=O)n2cc(-c3cccnc3)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(I)c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc32)cc1.

What is the InChIKey of 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?

The InChIKey is GNCINERXTKJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O4S2.C22H20IN3O4S2.C15H14IN3O2S.2C15H15N3O2S/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;1-14(2)31(27,28)17-10-6-16(7-11-17)20-12-24-22-21(25-20)19(23)13-26(22)32(29,30)18-8-4-15(3)5-9-18;1-9(2)22(20,21)11-5-3-10(4-6-11)13-8-18-15-14(19-13)12(16)7-17-15;1-10(2)21(19,20)12-5-3-11(4-6-12)14-9-17-15-13(18-14)7-8-16-15;1-4-13-15(16)17-9-14(18-13)11-5-7-12(8-6-11)21(19,20)10(2)3/h4-18H,1-3H3;4-14H,1-3H3;3-9H,1-2H3,(H,17,18);3-10H,1-2H3,(H,16,17);1,5-10H,2-3H3,(H2,16,17).

What are the key properties of 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine?

3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 2144.11 g/mol, XLogP of 17.43, 20 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;7-iodo-5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)pyrrolo[2,3-b]pyrazine;7-iodo-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine;5-(4-methylphenyl)sulfonyl-2-(4-propan-2-ylsulfonylphenyl)-7-pyridin-3-ylpyrrolo[2,3-b]pyrazine;2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 158306153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).