N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C91H96N16O14S4 — CID 162003694

About N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 162003694) has the molecular formula C91H96N16O14S4 and a molecular weight of 1766.13 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 162003694
• Molecular Formula: C91H96N16O14S4
• Molecular Weight: 1766.13 g/mol
• Exact Mass: 1764.62
• IUPAC Name: N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(O)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccc4O)c3n2)cc1.CC1CCCN(C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)C1.CCCc1ccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.[H][H].[H][H]
• InChI: InChI=1S/C25H26N4O3S.2C22H20N4O4S.C22H26N4O3S.2H2/c1-4-5-17-6-10-19(11-7-17)28-25(30)21-14-26-24-23(21)29-22(15-27-24)18-8-12-20(13-9-18)33(31,32)16(2)3;1-13(2)31(29,30)17-8-6-14(7-9-17)19-12-24-21-20(26-19)18(11-23-21)22(28)25-15-4-3-5-16(27)10-15;1-13(2)31(29,30)15-9-7-14(8-10-15)18-12-24-21-20(25-18)16(11-23-21)22(28)26-17-5-3-4-6-19(17)27;1-14(2)30(28,29)17-8-6-16(7-9-17)19-12-24-21-20(25-19)18(11-23-21)22(27)26-10-4-5-15(3)13-26;;/h6-16H,4-5H2,1-3H3,(H,26,27)(H,28,30);3-13,27H,1-2H3,(H,23,24)(H,25,28);3-13,27H,1-2H3,(H,23,24)(H,26,28);6-9,11-12,14-15H,4-5,10,13H2,1-3H3,(H,23,24);2*1H
• InChIKey: YSNVMDCHDZNXIO-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 450.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1766.13
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 162003694) is N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(O)c4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccc4O)c3n2)cc1.CC1CCCN(C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)C1.CCCc1ccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.[H][H].[H][H].

What is the InChIKey of N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is YSNVMDCHDZNXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S.2C22H20N4O4S.C22H26N4O3S.2H2/c1-4-5-17-6-10-19(11-7-17)28-25(30)21-14-26-24-23(21)29-22(15-27-24)18-8-12-20(13-9-18)33(31,32)16(2)3;1-13(2)31(29,30)17-8-6-14(7-9-17)19-12-24-21-20(26-19)18(11-23-21)22(28)25-15-4-3-5-16(27)10-15;1-13(2)31(29,30)15-9-7-14(8-10-15)18-12-24-21-20(25-18)16(11-23-21)22(28)26-17-5-3-4-6-19(17)27;1-14(2)30(28,29)17-8-6-16(7-9-17)19-12-24-21-20(25-19)18(11-23-21)22(27)26-10-4-5-15(3)13-26;;/h6-16H,4-5H2,1-3H3,(H,26,27)(H,28,30);3-13,27H,1-2H3,(H,23,24)(H,25,28);3-13,27H,1-2H3,(H,23,24)(H,26,28);6-9,11-12,14-15H,4-5,10,13H2,1-3H3,(H,23,24);2*1H.

What are the key properties of N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1766.13 g/mol, XLogP of 16.71, 21 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-methylpiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(4-propylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 162003694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).