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

C128H145Cl2N25O15S5 — CID 159422743

About 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen (PubChem CID 159422743) has the molecular formula C128H145Cl2N25O15S5 and a molecular weight of 2504.97 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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
• PubChem CID: 159422743
• Molecular Formula: C128H145Cl2N25O15S5
• Molecular Weight: 2504.97 g/mol
• Exact Mass: 2501.93
• IUPAC Name: 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen
• SMILES: CC.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(N4Cc5ccc(N6CC[C@@H](N)C6)cc5C4=O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(N4Cc5cccc(N)c5C4=O)c3n2)cc1.CCNc1cccc2c1C(=O)N(c1c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc13)C2.O=C1c2c(Cl)cccc2CN1C1=CCc2ncc(-c3ccc(S(=O)(=O)C4CCCNC4)cc3)nc21.O=C1c2c(Cl)cccc2CN1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C4CCNCC4)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C27H28N6O3S.C26H23ClN4O3S.C25H22ClN5O3S.C25H25N5O3S.C23H21N5O3S.C2H6.10H2/c1-16(2)37(35,36)21-7-4-17(5-8-21)23-12-29-26-25(31-23)24(13-30-26)33-14-18-3-6-20(11-22(18)27(33)34)32-10-9-19(28)15-32;27-20-5-1-3-17-15-31(26(32)24(17)20)23-11-10-21-25(23)30-22(14-29-21)16-6-8-18(9-7-16)35(33,34)19-4-2-12-28-13-19;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;1-2;;;;;;;;;;/h3-8,11-13,16,19H,9-10,14-15,28H2,1-2H3,(H,29,30);1,3,5-9,11,14,19,28H,2,4,10,12-13,15H2;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);1-2H3;10*1H/t19-;;;;;;;;;;;;;;;/m1.............../s1
• InChIKey: LPYSSBBXMQSSOR-VFQFQTLPSA-N
• XLogP: 22.78
• TPSA: 555.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2504.97
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen (CID 159422743) is 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen is CC.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(N4Cc5ccc(N6CC[C@@H](N)C6)cc5C4=O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(N4Cc5cccc(N)c5C4=O)c3n2)cc1.CCNc1cccc2c1C(=O)N(c1c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc13)C2.O=C1c2c(Cl)cccc2CN1C1=CCc2ncc(-c3ccc(S(=O)(=O)C4CCCNC4)cc3)nc21.O=C1c2c(Cl)cccc2CN1c1c[nH]c2ncc(-c3ccc(S(=O)(=O)C4CCNCC4)cc3)nc12.[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 7-amino-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen?

The InChIKey is LPYSSBBXMQSSOR-VFQFQTLPSA-N. The full InChI is InChI=1S/C27H28N6O3S.C26H23ClN4O3S.C25H22ClN5O3S.C25H25N5O3S.C23H21N5O3S.C2H6.10H2/c1-16(2)37(35,36)21-7-4-17(5-8-21)23-12-29-26-25(31-23)24(13-30-26)33-14-18-3-6-20(11-22(18)27(33)34)32-10-9-19(28)15-32;27-20-5-1-3-17-15-31(26(32)24(17)20)23-11-10-21-25(23)30-22(14-29-21)16-6-8-18(9-7-16)35(33,34)19-4-2-12-28-13-19;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;1-2;;;;;;;;;;/h3-8,11-13,16,19H,9-10,14-15,28H2,1-2H3,(H,29,30);1,3,5-9,11,14,19,28H,2,4,10,12-13,15H2;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);1-2H3;10*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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen has a molecular weight of 2504.97 g/mol, XLogP of 22.78, 23 rotatable bonds, 9 hydrogen bond donors, and 31 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;6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;7-chloro-2-[3-(4-piperidin-3-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazin-5-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;ethane;7-(ethylamino)-2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-3H-isoindol-1-one;molecular hydrogen is sourced from PubChem (CID 159422743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).