4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide

C87H98ClN17O14S5 — CID 159158371

About 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide

4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide (PubChem CID 159158371) has the molecular formula C87H98ClN17O14S5 and a molecular weight of 1801.63 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide
• PubChem CID: 159158371
• Molecular Formula: C87H98ClN17O14S5
• Molecular Weight: 1801.63 g/mol
• Exact Mass: 1799.58
• IUPAC Name: 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide
• SMILES: C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(Cl)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(O)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccncc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NS(=O)(=O)c4ccccc4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H19ClN4O3S.C22H20N4O4S.C21H19N5O3S.C21H20N4O4S2.CH4.8H2/c1-13(2)31(29,30)17-9-5-14(6-10-17)18-11-24-21-20(26-18)19(12-25-21)27-22(28)15-3-7-16(23)8-4-15;1-13(2)31(29,30)17-9-5-14(6-10-17)18-11-23-21-20(25-18)19(12-24-21)26-22(28)15-3-7-16(27)8-4-15;1-13(2)30(28,29)16-5-3-14(4-6-16)17-11-23-20-19(25-17)18(12-24-20)26-21(27)15-7-9-22-10-8-15;1-14(2)30(26,27)16-10-8-15(9-11-16)18-12-22-21-20(24-18)19(13-23-21)25-31(28,29)17-6-4-3-5-7-17;;;;;;;;;/h3-13H,1-2H3,(H,24,25)(H,27,28);3-13,27H,1-2H3,(H,23,24)(H,26,28);3-13H,1-2H3,(H,23,24)(H,26,27);3-14,25H,1-2H3,(H,22,23);1H4;8*1H
• InChIKey: KKEHNEWBJFRBPZ-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 469.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1801.63
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide?

The IUPAC name of 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide (CID 159158371) is 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide.

What is the SMILES notation for 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide?

The canonical SMILES for 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide is C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(Cl)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(O)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccncc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NS(=O)(=O)c4ccccc4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide?

The InChIKey is KKEHNEWBJFRBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S.C22H20N4O4S.C21H19N5O3S.C21H20N4O4S2.CH4.8H2/c1-13(2)31(29,30)17-9-5-14(6-10-17)18-11-24-21-20(26-18)19(12-25-21)27-22(28)15-3-7-16(23)8-4-15;1-13(2)31(29,30)17-9-5-14(6-10-17)18-11-23-21-20(25-18)19(12-24-21)26-22(28)15-3-7-16(27)8-4-15;1-13(2)30(28,29)16-5-3-14(4-6-16)17-11-23-20-19(25-17)18(12-24-20)26-21(27)15-7-9-22-10-8-15;1-14(2)30(26,27)16-10-8-15(9-11-16)18-12-22-21-20(24-18)19(13-23-21)25-31(28,29)17-6-4-3-5-7-17;;;;;;;;;/h3-13H,1-2H3,(H,24,25)(H,27,28);3-13,27H,1-2H3,(H,23,24)(H,26,28);3-13H,1-2H3,(H,23,24)(H,26,27);3-14,25H,1-2H3,(H,22,23);1H4;8*1H.

What are the key properties of 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide?

4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide has a molecular weight of 1801.63 g/mol, XLogP of 18.14, 21 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;4-hydroxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;methane;molecular hydrogen;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzenesulfonamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-4-carboxamide is sourced from PubChem (CID 159158371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).