N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

C117H126N22O17S5 — CID 159262350

About N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (PubChem CID 159262350) has the molecular formula C117H126N22O17S5 and a molecular weight of 2272.77 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
• PubChem CID: 159262350
• Molecular Formula: C117H126N22O17S5
• Molecular Weight: 2272.77 g/mol
• Exact Mass: 2270.83
• IUPAC Name: N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCC4CO)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CO)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc(N5CCCCC5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccc4C#N)c3n2)cc1.[H][H].[H][H]
• InChI: InChI=1S/C28H31N5O3S.C24H24N4O4S.C23H19N5O3S.C21H24N4O4S.C21H24N4O3S.2H2/c1-19(2)37(35,36)23-12-8-21(9-13-23)25-18-30-27-26(32-25)24(17-29-27)28(34)31-16-20-6-10-22(11-7-20)33-14-4-3-5-15-33;1-15(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)17-9-7-15(8-10-17)20-13-26-22-21(27-20)18(12-25-22)23(29)28-19-6-4-3-5-16(19)11-24;1-13(2)30(28,29)16-7-5-14(6-8-16)18-11-23-20-19(24-18)17(10-22-20)21(27)25-9-3-4-15(25)12-26;1-14(2)29(27,28)16-8-6-15(7-9-16)18-13-23-20-19(24-18)17(12-22-20)21(26)25-10-4-3-5-11-25;;/h6-13,17-19H,3-5,14-16H2,1-2H3,(H,29,30)(H,31,34);3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30);3-10,12-14H,1-2H3,(H,25,26)(H,28,29);5-8,10-11,13,15,26H,3-4,9,12H2,1-2H3,(H,22,23);6-9,12-14H,3-5,10-11H2,1-2H3,(H,22,23);2*1H
• InChIKey: KWRCVOFGYYDFKO-UHFFFAOYSA-N
• XLogP: 18.26
• TPSA: 573.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2272.77
LogP ≤ 5	18.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?

The IUPAC name of N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (CID 159262350) is N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.

What is the SMILES notation for N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?

The canonical SMILES for N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCC4CO)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCCC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC(CO)c4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NCc4ccc(N5CCCCC5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccccc4C#N)c3n2)cc1.[H][H].[H][H].

What is the InChIKey of N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?

The InChIKey is KWRCVOFGYYDFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3S.C24H24N4O4S.C23H19N5O3S.C21H24N4O4S.C21H24N4O3S.2H2/c1-19(2)37(35,36)23-12-8-21(9-13-23)25-18-30-27-26(32-25)24(17-29-27)28(34)31-16-20-6-10-22(11-7-20)33-14-4-3-5-15-33;1-15(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)17-9-7-15(8-10-17)20-13-26-22-21(27-20)18(12-25-22)23(29)28-19-6-4-3-5-16(19)11-24;1-13(2)30(28,29)16-7-5-14(6-8-16)18-11-23-20-19(24-18)17(10-22-20)21(27)25-9-3-4-15(25)12-26;1-14(2)29(27,28)16-8-6-15(7-9-16)18-13-23-20-19(24-18)17(12-22-20)21(26)25-10-4-3-5-11-25;;/h6-13,17-19H,3-5,14-16H2,1-2H3,(H,29,30)(H,31,34);3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,28,30);3-10,12-14H,1-2H3,(H,25,26)(H,28,29);5-8,10-11,13,15,26H,3-4,9,12H2,1-2H3,(H,22,23);6-9,12-14H,3-5,10-11H2,1-2H3,(H,22,23);2*1H.

What are the key properties of N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?

N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone has a molecular weight of 2272.77 g/mol, XLogP of 18.26, 28 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanophenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;N-(2-hydroxy-1-phenylethyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;piperidin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is sourced from PubChem (CID 159262350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).