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

C72H74ClFN12O10S3 — CID 158460866

About N-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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 158460866) has the molecular formula C72H74ClFN12O10S3 and a molecular weight of 1418.11 g/mol. Its IUPAC name is N-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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: 158460866
• Molecular Formula: C72H74ClFN12O10S3
• Molecular Weight: 1418.11 g/mol
• Exact Mass: 1416.45
• IUPAC Name: N-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1F.Cc1cccc(CNC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1Cl.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H24N4O4S.C24H23ClN4O3S.C23H21FN4O3S.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;1-14(2)33(31,32)18-9-7-16(8-10-18)20-13-27-23-22(29-20)19(12-26-23)24(30)28-11-17-6-4-5-15(3)21(17)25;1-13(2)32(30,31)17-8-5-15(6-9-17)20-12-26-22-21(28-20)18(11-25-22)23(29)27-16-7-4-14(3)19(24)10-16;;;/h3-10,12-14,21-22,30H,11H2,1-2H3,(H,26,27)(H,29,31);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);4-13H,1-3H3,(H,25,26)(H,27,29);3*1H/t21-,22+;;;;;/m0...../s1
• InChIKey: HFDPJTSLGGLQDF-VKDHWVOVSA-N
• XLogP: 13.14
• TPSA: 334.66 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1418.11
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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 158460866) is N-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1F.Cc1cccc(CNC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1Cl.[H][H].[H][H].[H][H].

What is the InChIKey of N-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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 HFDPJTSLGGLQDF-VKDHWVOVSA-N. The full InChI is InChI=1S/C25H24N4O4S.C24H23ClN4O3S.C23H21FN4O3S.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;1-14(2)33(31,32)18-9-7-16(8-10-18)20-13-27-23-22(29-20)19(12-26-23)24(30)28-11-17-6-4-5-15(3)21(17)25;1-13(2)32(30,31)17-8-5-15(6-9-17)20-12-26-22-21(28-20)18(11-25-22)23(29)27-16-7-4-14(3)19(24)10-16;;;/h3-10,12-14,21-22,30H,11H2,1-2H3,(H,26,27)(H,29,31);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);4-13H,1-3H3,(H,25,26)(H,27,29);3*1H/t21-,22+;;;;;/m0...../s1.

What are the key properties of N-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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 1418.11 g/mol, XLogP of 13.14, 16 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-3-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-fluoro-4-methylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R,2S)-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 158460866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).