7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen

C130H138ClN23O15S5 — CID 158689387

About 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen

7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen (PubChem CID 158689387) has the molecular formula C130H138ClN23O15S5 and a molecular weight of 2458.47 g/mol. Its IUPAC name is 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen.

Molecular Properties

• Compound Name: 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen
• PubChem CID: 158689387
• Molecular Formula: C130H138ClN23O15S5
• Molecular Weight: 2458.47 g/mol
• Exact Mass: 2455.90
• IUPAC Name: 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen
• SMILES: C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(N4Cc5cccc(N)c5C4=O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3c(n2)C(N2Cc4ccc(N5CC[C@@H](C)C5)cc4C2=O)=CC3)cc1.CCNc1cccc2c1C(=O)N(c1c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc13)C2.Cc1cccc2c1C(=O)N(C1=CCc3ncc(-c4ccc(S(=O)(=O)C5CCCNC5)cc4)nc31)C2.O=C1c2c(Cl)cccc2CN1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C4CCNCC4)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C29H30N4O3S.C27H26N4O3S.C25H22ClN5O3S.C25H25N5O3S.C23H21N5O3S.CH4.5H2/c1-18(2)37(35,36)23-8-5-20(6-9-23)26-15-30-25-10-11-27(28(25)31-26)33-17-21-4-7-22(14-24(21)29(33)34)32-13-12-19(3)16-32;1-17-4-2-5-19-16-31(27(32)25(17)19)24-12-11-22-26(24)30-23(15-29-22)18-7-9-20(10-8-18)35(33,34)21-6-3-13-28-14-21;26-19-3-1-2-16-14-31(25(32)22(16)19)21-13-29-24-23(21)30-20(12-28-24)15-4-6-17(7-5-15)35(33,34)18-8-10-27-11-9-18;1-4-26-19-7-5-6-17-14-30(25(31)22(17)19)21-13-28-24-23(21)29-20(12-27-24)16-8-10-18(11-9-16)34(32,33)15(2)3;1-13(2)32(30,31)16-8-6-14(7-9-16)18-10-25-22-21(27-18)19(11-26-22)28-12-15-4-3-5-17(24)20(15)23(28)29;;;;;;/h4-9,11,14-15,18-19H,10,12-13,16-17H2,1-3H3;2,4-5,7-10,12,15,21,28H,3,6,11,13-14,16H2,1H3;1-7,12-13,18,27H,8-11,14H2,(H,28,29);5-13,15,26H,4,14H2,1-3H3,(H,27,28);3-11,13H,12,24H2,1-2H3,(H,25,26);1H4;5*1H/t19-;;;;;;;;;;/m1........../s1
• InChIKey: IGDNDWDJLBYNND-UPELAMEWSA-N
• XLogP: 22.03
• TPSA: 513.87 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2458.47
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen?

The IUPAC name of 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen (CID 158689387) is 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen.

What is the SMILES notation for 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen?

The canonical SMILES for 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen is C.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(N4Cc5cccc(N)c5C4=O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3c(n2)C(N2Cc4ccc(N5CC[C@@H](C)C5)cc4C2=O)=CC3)cc1.CCNc1cccc2c1C(=O)N(c1c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc13)C2.Cc1cccc2c1C(=O)N(C1=CCc3ncc(-c4ccc(S(=O)(=O)C5CCCNC5)cc4)nc31)C2.O=C1c2c(Cl)cccc2CN1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C4CCNCC4)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen?

The InChIKey is IGDNDWDJLBYNND-UPELAMEWSA-N. The full InChI is InChI=1S/C29H30N4O3S.C27H26N4O3S.C25H22ClN5O3S.C25H25N5O3S.C23H21N5O3S.CH4.5H2/c1-18(2)37(35,36)23-8-5-20(6-9-23)26-15-30-25-10-11-27(28(25)31-26)33-17-21-4-7-22(14-24(21)29(33)34)32-13-12-19(3)16-32;1-17-4-2-5-19-16-31(27(32)25(17)19)24-12-11-22-26(24)30-23(15-29-22)18-7-9-20(10-8-18)35(33,34)21-6-3-13-28-14-21;26-19-3-1-2-16-14-31(25(32)22(16)19)21-13-29-24-23(21)30-20(12-28-24)15-4-6-17(7-5-15)35(33,34)18-8-10-27-11-9-18;1-4-26-19-7-5-6-17-14-30(25(31)22(17)19)21-13-28-24-23(21)29-20(12-27-24)16-8-10-18(11-9-16)34(32,33)15(2)3;1-13(2)32(30,31)16-8-6-14(7-9-16)18-10-25-22-21(27-18)19(11-26-22)28-12-15-4-3-5-17(24)20(15)23(28)29;;;;;;/h4-9,11,14-15,18-19H,10,12-13,16-17H2,1-3H3;2,4-5,7-10,12,15,21,28H,3,6,11,13-14,16H2,1H3;1-7,12-13,18,27H,8-11,14H2,(H,28,29);5-13,15,26H,4,14H2,1-3H3,(H,27,28);3-11,13H,12,24H2,1-2H3,(H,25,26);1H4;5*1H/t19-;;;;;;;;;;/m1........../s1.

What are the key properties of 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen?

7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen has a molecular weight of 2458.47 g/mol, XLogP of 22.03, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[2-(4-piperidin-4-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;methane;7-methyl-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;6-[(3R)-3-methylpyrrolidin-1-yl]-2-[3-(4-propan-2-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-yl]-3H-isoindol-1-one;molecular hydrogen is sourced from PubChem (CID 158689387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).