N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C117H140ClN23O16S5 — CID 159594403

About N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159594403) has the molecular formula C117H140ClN23O16S5 and a molecular weight of 2320.34 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 159594403
• Molecular Formula: C117H140ClN23O16S5
• Molecular Weight: 2320.34 g/mol
• Exact Mass: 2317.91
• IUPAC Name: N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCc5ccccc54)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](CCCO)c4ccccc4)c3n2)cc1.Cc1cc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n[nH]1.Cc1cccc(Cl)c1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[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/C26H28N4O4S.C25H24N4O3S.C24H23ClN4O3S.C22H21N5O3S.C20H20N6O3S.12H2/c1-17(2)35(33,34)20-12-10-19(11-13-20)23-16-28-25-24(29-23)21(15-27-25)26(32)30-22(9-6-14-31)18-7-4-3-5-8-18;1-15(2)33(31,32)18-10-7-17(8-11-18)22-14-27-24-23(28-22)20(13-26-24)25(30)29-21-12-9-16-5-3-4-6-19(16)21;1-14(2)33(31,32)17-9-7-16(8-10-17)21-13-27-23-22(29-21)19(12-26-23)24(30)28-11-18-15(3)5-4-6-20(18)25;1-14(2)31(29,30)17-8-6-15(7-9-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-16-5-3-4-10-23-16;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;;;;;;;;;;;;/h3-5,7-8,10-13,15-17,22,31H,6,9,14H2,1-2H3,(H,27,28)(H,30,32);3-8,10-11,13-15,21H,9,12H2,1-2H3,(H,26,27)(H,29,30);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28);4-11H,1-3H3,(H,21,22)(H2,24,25,26,27);12*1H/t22-;;;;;;;;;;;;;;;;/m0................/s1
• InChIKey: MKQNJNIPISRJNJ-RRZPZDFBSA-N
• XLogP: 22.15
• TPSA: 585.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2320.34
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159594403) is N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCc5ccccc54)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccccn4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](CCCO)c4ccccc4)c3n2)cc1.Cc1cc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)n[nH]1.Cc1cccc(Cl)c1CNC(=O)c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[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-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is MKQNJNIPISRJNJ-RRZPZDFBSA-N. The full InChI is InChI=1S/C26H28N4O4S.C25H24N4O3S.C24H23ClN4O3S.C22H21N5O3S.C20H20N6O3S.12H2/c1-17(2)35(33,34)20-12-10-19(11-13-20)23-16-28-25-24(29-23)21(15-27-25)26(32)30-22(9-6-14-31)18-7-4-3-5-8-18;1-15(2)33(31,32)18-10-7-17(8-11-18)22-14-27-24-23(28-22)20(13-26-24)25(30)29-21-12-9-16-5-3-4-6-19(16)21;1-14(2)33(31,32)17-9-7-16(8-10-17)21-13-27-23-22(29-21)19(12-26-23)24(30)28-11-18-15(3)5-4-6-20(18)25;1-14(2)31(29,30)17-8-6-15(7-9-17)19-13-25-21-20(27-19)18(12-24-21)22(28)26-11-16-5-3-4-10-23-16;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;;;;;;;;;;;;/h3-5,7-8,10-13,15-17,22,31H,6,9,14H2,1-2H3,(H,27,28)(H,30,32);3-8,10-11,13-15,21H,9,12H2,1-2H3,(H,26,27)(H,29,30);4-10,12-14H,11H2,1-3H3,(H,26,27)(H,28,30);3-10,12-14H,11H2,1-2H3,(H,24,25)(H,26,28);4-11H,1-3H3,(H,21,22)(H2,24,25,26,27);12*1H/t22-;;;;;;;;;;;;;;;;/m0................/s1.

What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 2320.34 g/mol, XLogP of 22.15, 31 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-6-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(2,3-dihydro-1H-inden-1-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1S)-4-hydroxy-1-phenylbutyl]-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;2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159594403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).