N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide

C108H126Br6N34O9 — CID 158253644

About N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide

N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide (PubChem CID 158253644) has the molecular formula C108H126Br6N34O9 and a molecular weight of 2523.85 g/mol. Its IUPAC name is N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide
• PubChem CID: 158253644
• Molecular Formula: C108H126Br6N34O9
• Molecular Weight: 2523.85 g/mol
• Exact Mass: 2516.55
• IUPAC Name: N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide
• SMILES: CC1(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)CC1.COCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(C)(N)C3)c12.COc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)c1.COc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cc1cccnc1C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ncccn4)c23)C1
• InChI: InChI=1S/C20H22BrN5O2.C19H21BrN6O2.C19H21BrN6O.C17H18BrN7O.C17H22BrN5O.C16H22BrN5O2/c1-28-14-6-2-4-12(8-14)20(27)25-16-10-24-19-17(16)18(15(21)9-23-19)26-7-3-5-13(22)11-26;1-28-15-6-2-5-13(24-15)19(27)25-14-9-23-18-16(14)17(12(20)8-22-18)26-7-3-4-11(21)10-26;1-11-4-2-6-22-16(11)19(27)25-14-9-24-18-15(14)17(13(20)8-23-18)26-7-3-5-12(21)10-26;18-11-7-22-15-13(14(11)25-6-1-3-10(19)9-25)12(8-23-15)24-17(26)16-20-4-2-5-21-16;1-17(4-5-17)16(24)22-12-8-21-15-13(12)14(11(18)7-20-15)23-6-2-3-10(19)9-23;1-16(18)4-3-5-22(9-16)14-10(17)6-19-15-13(14)11(7-20-15)21-12(23)8-24-2/h2,4,6,8-10,13H,3,5,7,11,22H2,1H3,(H,23,24)(H,25,27);2,5-6,8-9,11H,3-4,7,10,21H2,1H3,(H,22,23)(H,25,27);2,4,6,8-9,12H,3,5,7,10,21H2,1H3,(H,23,24)(H,25,27);2,4-5,7-8,10H,1,3,6,9,19H2,(H,22,23)(H,24,26);7-8,10H,2-6,9,19H2,1H3,(H,20,21)(H,22,24);6-7H,3-5,8-9,18H2,1-2H3,(H,19,20)(H,21,23)/t13-;11-;12-;2*10-;/m11111./s1
• InChIKey: GHAATPLIEBOFKC-ZVNTWNNGSA-N
• XLogP: 17.15
• TPSA: 601.49 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2523.85
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide?

The IUPAC name of N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide (CID 158253644) is N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide?

The canonical SMILES for N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide is CC1(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)CC1.COCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(C)(N)C3)c12.COc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)c1.COc1cccc(C(=O)Nc2c[nH]c3ncc(Br)c(N4CCC[C@@H](N)C4)c23)n1.Cc1cccnc1C(=O)Nc1c[nH]c2ncc(Br)c(N3CCC[C@@H](N)C3)c12.N[C@@H]1CCCN(c2c(Br)cnc3[nH]cc(NC(=O)c4ncccn4)c23)C1.

What is the InChIKey of N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide?

The InChIKey is GHAATPLIEBOFKC-ZVNTWNNGSA-N. The full InChI is InChI=1S/C20H22BrN5O2.C19H21BrN6O2.C19H21BrN6O.C17H18BrN7O.C17H22BrN5O.C16H22BrN5O2/c1-28-14-6-2-4-12(8-14)20(27)25-16-10-24-19-17(16)18(15(21)9-23-19)26-7-3-5-13(22)11-26;1-28-15-6-2-5-13(24-15)19(27)25-14-9-23-18-16(14)17(12(20)8-22-18)26-7-3-4-11(21)10-26;1-11-4-2-6-22-16(11)19(27)25-14-9-24-18-15(14)17(13(20)8-23-18)26-7-3-5-12(21)10-26;18-11-7-22-15-13(14(11)25-6-1-3-10(19)9-25)12(8-23-15)24-17(26)16-20-4-2-5-21-16;1-17(4-5-17)16(24)22-12-8-21-15-13(12)14(11(18)7-20-15)23-6-2-3-10(19)9-23;1-16(18)4-3-5-22(9-16)14-10(17)6-19-15-13(14)11(7-20-15)21-12(23)8-24-2/h2,4,6,8-10,13H,3,5,7,11,22H2,1H3,(H,23,24)(H,25,27);2,5-6,8-9,11H,3-4,7,10,21H2,1H3,(H,22,23)(H,25,27);2,4,6,8-9,12H,3,5,7,10,21H2,1H3,(H,23,24)(H,25,27);2,4-5,7-8,10H,1,3,6,9,19H2,(H,22,23)(H,24,26);7-8,10H,2-6,9,19H2,1H3,(H,20,21)(H,22,24);6-7H,3-5,8-9,18H2,1-2H3,(H,19,20)(H,21,23)/t13-;11-;12-;2*10-;/m11111./s1.

What are the key properties of N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide?

N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 2523.85 g/mol, XLogP of 17.15, 21 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-amino-3-methylpiperidin-1-yl)-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methoxyacetamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methoxybenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-methoxypyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylcyclopropane-1-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 158253644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).