molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide

C82H101N19O13S4 — CID 158103032

About molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide

molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 158103032) has the molecular formula C82H101N19O13S4 and a molecular weight of 1689.10 g/mol. Its IUPAC name is molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

• Compound Name: molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide
• PubChem CID: 158103032
• Molecular Formula: C82H101N19O13S4
• Molecular Weight: 1689.10 g/mol
• Exact Mass: 1687.67
• IUPAC Name: molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide
• SMILES: C#CCC(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)COc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4ncn[nH]4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H22N4O4S.C21H24N4O3S.C19H19N7O3S.C19H18N4O3S.9H2/c1-15(2)32(29,30)18-10-8-16(9-11-18)19-12-24-23-22(27-19)20(13-25-23)26-21(28)14-31-17-6-4-3-5-7-17;1-13(2)29(27,28)16-9-7-14(8-10-16)17-11-22-20-19(24-17)18(12-23-20)25-21(26)15-5-3-4-6-15;1-11(2)30(28,29)13-5-3-12(4-6-13)14-8-20-19-18(25-14)15(9-21-19)24-17(27)7-16-22-10-23-26-16;1-4-5-17(24)22-16-11-21-19-18(16)23-15(10-20-19)13-6-8-14(9-7-13)27(25,26)12(2)3;;;;;;;;;/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,28);7-13,15H,3-6H2,1-2H3,(H,22,23)(H,25,26);3-6,8-11H,7H2,1-2H3,(H,20,21)(H,24,27)(H,22,23,26);1,6-12H,5H2,2-3H3,(H,20,21)(H,22,24);9*1H
• InChIKey: FPMOFRQCINGDGB-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 470.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1689.10
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide?

The IUPAC name of molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide (CID 158103032) is molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide.

What is the SMILES notation for molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide?

The canonical SMILES for molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide is C#CCC(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)COc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4ncn[nH]4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide?

The InChIKey is FPMOFRQCINGDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S.C21H24N4O3S.C19H19N7O3S.C19H18N4O3S.9H2/c1-15(2)32(29,30)18-10-8-16(9-11-18)19-12-24-23-22(27-19)20(13-25-23)26-21(28)14-31-17-6-4-3-5-7-17;1-13(2)29(27,28)16-9-7-14(8-10-16)17-11-22-20-19(24-17)18(12-23-20)25-21(26)15-5-3-4-6-15;1-11(2)30(28,29)13-5-3-12(4-6-13)14-8-20-19-18(25-14)15(9-21-19)24-17(27)7-16-22-10-23-26-16;1-4-5-17(24)22-16-11-21-19-18(16)23-15(10-20-19)13-6-8-14(9-7-13)27(25,26)12(2)3;;;;;;;;;/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,28);7-13,15H,3-6H2,1-2H3,(H,22,23)(H,25,26);3-6,8-11H,7H2,1-2H3,(H,20,21)(H,24,27)(H,22,23,26);1,6-12H,5H2,2-3H3,(H,20,21)(H,22,24);9*1H.

What are the key properties of molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide?

molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 1689.10 g/mol, XLogP of 14.85, 23 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 158103032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).