N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C116H145N23O17S5 — CID 161451058

About N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 161451058) has the molecular formula C116H145N23O17S5 and a molecular weight of 2293.91 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 161451058
• Molecular Formula: C116H145N23O17S5
• Molecular Weight: 2293.91 g/mol
• Exact Mass: 2291.98
• IUPAC Name: N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc(N)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccnc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccncc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](CO)c4ccccc4)c3n2)cc1.COC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H26N4O4S.C24H24N4O4S.C23H23N5O3S.2C22H21N5O3S.15H2/c1-16(2)34(31,32)19-11-9-18(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-22(15-33-3)17-7-5-4-6-8-17;1-15(2)33(31,32)18-10-8-17(9-11-18)20-13-26-23-22(27-20)19(12-25-23)24(30)28-21(14-29)16-6-4-3-5-7-16;1-14(2)32(30,31)18-9-5-16(6-10-18)20-13-26-22-21(28-20)19(12-25-22)23(29)27-11-15-3-7-17(24)8-4-15;1-14(2)31(29,30)17-5-3-16(4-6-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-15-7-9-23-10-8-15;1-14(2)31(29,30)17-7-5-16(6-8-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-15-4-3-9-23-10-15;;;;;;;;;;;;;;;/h4-14,16,22H,15H2,1-3H3,(H,26,27)(H,29,30);3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30);3-10,12-14H,11,24H2,1-2H3,(H,25,26)(H,27,29);2*3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28);15*1H/t22-;21-;;;;;;;;;;;;;;;;;;/m00................../s1
• InChIKey: WANNCFWBMBSWGM-ZZTRDKDESA-N
• XLogP: 20.47
• TPSA: 605.31 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.91
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 161451058) is N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc(N)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4cccnc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccncc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](CO)c4ccccc4)c3n2)cc1.COC[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12)c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is WANNCFWBMBSWGM-ZZTRDKDESA-N. The full InChI is InChI=1S/C25H26N4O4S.C24H24N4O4S.C23H23N5O3S.2C22H21N5O3S.15H2/c1-16(2)34(31,32)19-11-9-18(10-12-19)21-14-27-24-23(28-21)20(13-26-24)25(30)29-22(15-33-3)17-7-5-4-6-8-17;1-15(2)33(31,32)18-10-8-17(9-11-18)20-13-26-23-22(27-20)19(12-25-23)24(30)28-21(14-29)16-6-4-3-5-7-16;1-14(2)32(30,31)18-9-5-16(6-10-18)20-13-26-22-21(28-20)19(12-25-22)23(29)27-11-15-3-7-17(24)8-4-15;1-14(2)31(29,30)17-5-3-16(4-6-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-15-7-9-23-10-8-15;1-14(2)31(29,30)17-7-5-16(6-8-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-15-4-3-9-23-10-15;;;;;;;;;;;;;;;/h4-14,16,22H,15H2,1-3H3,(H,26,27)(H,29,30);3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30);3-10,12-14H,11,24H2,1-2H3,(H,25,26)(H,27,29);2*3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28);15*1H/t22-;21-;;;;;;;;;;;;;;;;;;/m00................../s1.

What are the key properties of N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 2293.91 g/mol, XLogP of 20.47, 33 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-aminophenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-methoxy-1-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 161451058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).