N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C98H100FN17O13S4 — CID 159169362

About N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159169362) has the molecular formula C98H100FN17O13S4 and a molecular weight of 1871.25 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 159169362
• Molecular Formula: C98H100FN17O13S4
• Molecular Weight: 1871.25 g/mol
• Exact Mass: 1869.66
• IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cc1c(F)cccc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.Cc1ccc(CNC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c(C)c1.Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.Cc1cccnc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12
• InChI: InChI=1S/C26H28N4O4S.C25H26N4O3S.C24H23FN4O3S.C23H23N5O3S/c1-15(2)35(33,34)20-11-9-18(10-12-20)22-14-28-25-23(30-22)21(13-27-25)26(32)29-17(4)24(31)19-7-5-16(3)6-8-19;1-15(2)33(31,32)20-9-7-18(8-10-20)22-14-27-24-23(29-22)21(13-26-24)25(30)28-12-19-6-5-16(3)11-17(19)4;1-14(2)33(31,32)18-9-7-16(8-10-18)21-13-27-23-22(29-21)19(12-26-23)24(30)28-11-17-5-4-6-20(25)15(17)3;1-14(2)32(30,31)17-8-6-16(7-9-17)20-13-26-22-21(28-20)18(11-25-22)23(29)27-12-19-15(3)5-4-10-24-19/h5-15,17,24,31H,1-4H3,(H,27,28)(H,29,32);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);4-11,13-14H,12H2,1-3H3,(H,25,26)(H,27,29)/t17-,24-;;;/m0.../s1
• InChIKey: KLMFWOXRNJGBNZ-PCEFPBKJSA-N
• XLogP: 15.95
• TPSA: 452.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.25
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159169362) is N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1c(F)cccc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.Cc1ccc(CNC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c(C)c1.Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.Cc1cccnc1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.

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

The InChIKey is KLMFWOXRNJGBNZ-PCEFPBKJSA-N. The full InChI is InChI=1S/C26H28N4O4S.C25H26N4O3S.C24H23FN4O3S.C23H23N5O3S/c1-15(2)35(33,34)20-11-9-18(10-12-20)22-14-28-25-23(30-22)21(13-27-25)26(32)29-17(4)24(31)19-7-5-16(3)6-8-19;1-15(2)33(31,32)20-9-7-18(8-10-20)22-14-27-24-23(29-22)21(13-26-24)25(30)28-12-19-6-5-16(3)11-17(19)4;1-14(2)33(31,32)18-9-7-16(8-10-18)21-13-27-23-22(29-21)19(12-26-23)24(30)28-11-17-5-4-6-20(25)15(17)3;1-14(2)32(30,31)17-8-6-16(7-9-17)20-13-26-22-21(28-20)18(11-25-22)23(29)27-12-19-15(3)5-4-10-24-19/h5-15,17,24,31H,1-4H3,(H,27,28)(H,29,32);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);4-11,13-14H,12H2,1-3H3,(H,25,26)(H,27,29)/t17-,24-;;;/m0.../s1.

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

N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1871.25 g/mol, XLogP of 15.95, 25 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-fluoro-2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(3-methyl-2-pyridinyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159169362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).