4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

C100H102N20O12S5 — CID 158504109

About 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 158504109) has the molecular formula C100H102N20O12S5 and a molecular weight of 1936.38 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 158504109
• Molecular Formula: C100H102N20O12S5
• Molecular Weight: 1936.38 g/mol
• Exact Mass: 1934.66
• IUPAC Name: 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(CC(=O)c4ccc5c(c4)CNCC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cc5c(s4)CCNC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(N5CCC[C@@H](N)C5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc5c(c4)CNC5)c3n2)cc1
• InChI: InChI=1S/C27H30N6O3S.C26H26N4O3S.C24H23N5O3S.C23H23N5O3S2/c1-17(2)37(35,36)22-11-7-18(8-12-22)23-14-29-26-25(31-23)24(15-30-26)32-27(34)19-5-9-21(10-6-19)33-13-3-4-20(28)16-33;1-16(2)34(32,33)22-7-5-18(6-8-22)23-15-29-26-25(30-23)21(14-28-26)12-24(31)19-4-3-17-9-10-27-13-20(17)11-19;1-14(2)33(31,32)19-7-5-15(6-8-19)20-12-26-23-22(28-20)21(13-27-23)29-24(30)16-3-4-17-10-25-11-18(17)9-16;1-13(2)33(30,31)16-5-3-14(4-6-16)17-11-25-22-21(27-17)18(12-26-22)28-23(29)20-9-15-10-24-8-7-19(15)32-20/h5-12,14-15,17,20H,3-4,13,16,28H2,1-2H3,(H,29,30)(H,32,34);3-8,11,14-16,27H,9-10,12-13H2,1-2H3,(H,28,29);3-9,12-14,25H,10-11H2,1-2H3,(H,26,27)(H,29,30);3-6,9,11-13,24H,7-8,10H2,1-2H3,(H,25,26)(H,28,29)/t20-;;;/m1.../s1
• InChIKey: HKGLGZXMCOBXPS-BOPOOPDGSA-N
• XLogP: 15.29
• TPSA: 472.56 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1936.38
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (CID 158504109) is 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(CC(=O)c4ccc5c(c4)CNCC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cc5c(s4)CCNC5)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc(N5CCC[C@@H](N)C5)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccc5c(c4)CNC5)c3n2)cc1.

What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is HKGLGZXMCOBXPS-BOPOOPDGSA-N. The full InChI is InChI=1S/C27H30N6O3S.C26H26N4O3S.C24H23N5O3S.C23H23N5O3S2/c1-17(2)37(35,36)22-11-7-18(8-12-22)23-14-29-26-25(31-23)24(15-30-26)32-27(34)19-5-9-21(10-6-19)33-13-3-4-20(28)16-33;1-16(2)34(32,33)22-7-5-18(6-8-22)23-15-29-26-25(30-23)21(14-28-26)12-24(31)19-4-3-17-9-10-27-13-20(17)11-19;1-14(2)33(31,32)19-7-5-15(6-8-19)20-12-26-23-22(28-20)21(13-27-23)29-24(30)16-3-4-17-10-25-11-18(17)9-16;1-13(2)33(30,31)16-5-3-14(4-6-16)17-11-25-22-21(27-17)18(12-26-22)28-23(29)20-9-15-10-24-8-7-19(15)32-20/h5-12,14-15,17,20H,3-4,13,16,28H2,1-2H3,(H,29,30)(H,32,34);3-8,11,14-16,27H,9-10,12-13H2,1-2H3,(H,28,29);3-9,12-14,25H,10-11H2,1-2H3,(H,26,27)(H,29,30);3-6,9,11-13,24H,7-8,10H2,1-2H3,(H,25,26)(H,28,29)/t20-;;;/m1.../s1.

What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 1936.38 g/mol, XLogP of 15.29, 22 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-3-aminopiperidin-1-yl]-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,3-dihydro-1H-isoindole-5-carboxamide;2-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 158504109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).