N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

C74H79ClN12O10S3 — CID 158689223

About N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen

N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (PubChem CID 158689223) has the molecular formula C74H79ClN12O10S3 and a molecular weight of 1428.17 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen
• PubChem CID: 158689223
• Molecular Formula: C74H79ClN12O10S3
• Molecular Weight: 1428.17 g/mol
• Exact Mass: 1426.49
• IUPAC Name: N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-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)N[C@@H]4c5ccccc5C[C@H]4O)c3n2)cc1.Cc1ccc(Cl)cc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.Cc1cccc(CNC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1C.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H24N4O4S.C25H26N4O3S.C24H23ClN4O3S.3H2/c1-14(2)34(32,33)17-9-7-15(8-10-17)20-13-27-24-23(28-20)19(12-26-24)25(31)29-22-18-6-4-3-5-16(18)11-21(22)30;1-15(2)33(31,32)20-10-8-18(9-11-20)22-14-27-24-23(29-22)21(13-26-24)25(30)28-12-19-7-5-6-16(3)17(19)4;1-14(2)33(31,32)19-8-5-16(6-9-19)21-13-27-23-22(29-21)20(12-26-23)24(30)28-11-17-10-18(25)7-4-15(17)3;;;/h3-10,12-14,21-22,30H,11H2,1-2H3,(H,26,27)(H,29,31);5-11,13-15H,12H2,1-4H3,(H,26,27)(H,28,30);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);3*1H/t21-,22-;;;;;/m1...../s1
• InChIKey: IGDAMGHMSSYZEY-LKPFJRIYSA-N
• XLogP: 12.99
• TPSA: 334.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1428.17
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?

The IUPAC name of N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen (CID 158689223) is N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-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)N[C@@H]4c5ccccc5C[C@H]4O)c3n2)cc1.Cc1ccc(Cl)cc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.Cc1cccc(CNC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1C.[H][H].[H][H].[H][H].

What is the InChIKey of N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?

The InChIKey is IGDAMGHMSSYZEY-LKPFJRIYSA-N. The full InChI is InChI=1S/C25H24N4O4S.C25H26N4O3S.C24H23ClN4O3S.3H2/c1-14(2)34(32,33)17-9-7-15(8-10-17)20-13-27-24-23(28-20)19(12-26-24)25(31)29-22-18-6-4-3-5-16(18)11-21(22)30;1-15(2)33(31,32)20-10-8-18(9-11-20)22-14-27-24-23(29-22)21(13-26-24)25(30)28-12-19-7-5-6-16(3)17(19)4;1-14(2)33(31,32)19-8-5-16(6-9-19)21-13-27-23-22(29-21)20(12-26-23)24(30)28-11-17-10-18(25)7-4-15(17)3;;;/h3-10,12-14,21-22,30H,11H2,1-2H3,(H,26,27)(H,29,31);5-11,13-15H,12H2,1-4H3,(H,26,27)(H,28,30);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);3*1H/t21-,22-;;;;;/m1...../s1.

What are the key properties of N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen?

N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen has a molecular weight of 1428.17 g/mol, XLogP of 12.99, 17 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2,3-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 158689223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).