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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

C67H75N15O10S3 — CID 159082345

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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (PubChem CID 159082345) has the molecular formula C67H75N15O10S3 and a molecular weight of 1346.63 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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.

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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
• PubChem CID: 159082345
• Molecular Formula: C67H75N15O10S3
• Molecular Weight: 1346.63 g/mol
• Exact Mass: 1345.50
• 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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
• 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)N[C@@H](CO)c4ccccc4)c3n2)cc1.Cc1cc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n[nH]1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H24N4O4S.C23H23N5O3S.C20H20N6O3S.4H2/c1-15(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;1-11(2)30(28,29)14-6-4-13(5-7-14)16-10-22-19-18(23-16)15(9-21-19)20(27)24-17-8-12(3)25-26-17;;;;/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30);3-10,12-14H,11,24H2,1-2H3,(H,25,26)(H,27,29);4-11H,1-3H3,(H,21,22)(H2,24,25,26,27);4*1H/t21-;;;;;;/m0....../s1
• InChIKey: KBAADECLYSTQFI-FXULVREGSA-N
• XLogP: 10.66
• TPSA: 389.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1346.63
LogP ≤ 5	10.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?

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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (CID 159082345) 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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.

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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?

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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen 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)N[C@@H](CO)c4ccccc4)c3n2)cc1.Cc1cc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n[nH]1.[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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?

The InChIKey is KBAADECLYSTQFI-FXULVREGSA-N. The full InChI is InChI=1S/C24H24N4O4S.C23H23N5O3S.C20H20N6O3S.4H2/c1-15(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;1-11(2)30(28,29)14-6-4-13(5-7-14)16-10-22-19-18(23-16)15(9-21-19)20(27)24-17-8-12(3)25-26-17;;;;/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30);3-10,12-14H,11,24H2,1-2H3,(H,25,26)(H,27,29);4-11H,1-3H3,(H,21,22)(H2,24,25,26,27);4*1H/t21-;;;;;;/m0....../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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?

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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen has a molecular weight of 1346.63 g/mol, XLogP of 10.66, 18 rotatable bonds, 9 hydrogen bond donors, and 18 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-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 159082345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).