2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one

C136H150F8N26O12 — CID 160984407

About 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one

2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one (PubChem CID 160984407) has the molecular formula C136H150F8N26O12 and a molecular weight of 2492.85 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one.

Molecular Properties

• Compound Name: 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one
• PubChem CID: 160984407
• Molecular Formula: C136H150F8N26O12
• Molecular Weight: 2492.85 g/mol
• Exact Mass: 2491.18
• IUPAC Name: 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one
• SMILES: C.C.C.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12.CCc1c(C)[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc12.Cc1[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc2c1CCO.Cc1[nH]c2ncc(-c3cccc(N4CCCCC4=O)n3)cc2c1C(F)(F)F.Cc1[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc2c1CCO.Cc1[nH]c2ncc(-c3cccc(N4CCOCC4CO)n3)cc2c1C(F)(F)F.Cc1cc2cc(-c3ccc(N)c(C(=O)N(C)C)c3)cnc2[nH]1
• InChI: InChI=1S/C20H21N3O3.C20H21N3O2.C19H19F3N4O2.C19H17F3N4O.C19H21FN4O2.C19H21FN4O.C17H18N4O.3CH4/c1-13-17(5-7-24)18-10-15(11-21-20(18)22-13)14-3-2-4-16(9-14)23-6-8-26-12-19(23)25;1-3-17-13(2)22-20-18(17)10-15(11-21-20)14-5-4-6-16(9-14)23-7-8-25-12-19(23)24;1-11-17(19(20,21)22)14-7-12(8-23-18(14)24-11)15-3-2-4-16(25-15)26-5-6-28-10-13(26)9-27;1-11-17(19(20,21)22)13-9-12(10-23-18(13)24-11)14-5-4-6-15(25-14)26-8-3-2-7-16(26)27;1-10-12(6-7-25)14-8-11(9-22-18(14)23-10)13-4-5-15(21)16(17(13)20)19(26)24(2)3;1-5-12-10(2)23-18-14(12)8-11(9-22-18)13-6-7-15(21)16(17(13)20)19(25)24(3)4;1-10-6-12-7-13(9-19-16(12)20-10)11-4-5-15(18)14(8-11)17(22)21(2)3;;;/h2-4,9-11,24H,5-8,12H2,1H3,(H,21,22);4-6,9-11H,3,7-8,12H2,1-2H3,(H,21,22);2-4,7-8,13,27H,5-6,9-10H2,1H3,(H,23,24);4-6,9-10H,2-3,7-8H2,1H3,(H,23,24);4-5,8-9,25H,6-7,21H2,1-3H3,(H,22,23);6-9H,5,21H2,1-4H3,(H,22,23);4-9H,18H2,1-3H3,(H,19,20);3*1H4
• InChIKey: SZXYGEKRJMAXJJ-UHFFFAOYSA-N
• XLogP: 24.27
• TPSA: 518.08 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2492.85
LogP ≤ 5	24.27
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one?

The IUPAC name of 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one (CID 160984407) is 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one.

What is the SMILES notation for 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one?

The canonical SMILES for 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one is C.C.C.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc12.CCc1c(C)[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc12.Cc1[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3F)cc2c1CCO.Cc1[nH]c2ncc(-c3cccc(N4CCCCC4=O)n3)cc2c1C(F)(F)F.Cc1[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc2c1CCO.Cc1[nH]c2ncc(-c3cccc(N4CCOCC4CO)n3)cc2c1C(F)(F)F.Cc1cc2cc(-c3ccc(N)c(C(=O)N(C)C)c3)cnc2[nH]1.

What is the InChIKey of 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one?

The InChIKey is SZXYGEKRJMAXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.C20H21N3O2.C19H19F3N4O2.C19H17F3N4O.C19H21FN4O2.C19H21FN4O.C17H18N4O.3CH4/c1-13-17(5-7-24)18-10-15(11-21-20(18)22-13)14-3-2-4-16(9-14)23-6-8-26-12-19(23)25;1-3-17-13(2)22-20-18(17)10-15(11-21-20)14-5-4-6-16(9-14)23-7-8-25-12-19(23)24;1-11-17(19(20,21)22)14-7-12(8-23-18(14)24-11)15-3-2-4-16(25-15)26-5-6-28-10-13(26)9-27;1-11-17(19(20,21)22)13-9-12(10-23-18(13)24-11)14-5-4-6-15(25-14)26-8-3-2-7-16(26)27;1-10-12(6-7-25)14-8-11(9-22-18(14)23-10)13-4-5-15(21)16(17(13)20)19(26)24(2)3;1-5-12-10(2)23-18-14(12)8-11(9-22-18)13-6-7-15(21)16(17(13)20)19(25)24(3)4;1-10-6-12-7-13(9-19-16(12)20-10)11-4-5-15(18)14(8-11)17(22)21(2)3;;;/h2-4,9-11,24H,5-8,12H2,1H3,(H,21,22);4-6,9-11H,3,7-8,12H2,1-2H3,(H,21,22);2-4,7-8,13,27H,5-6,9-10H2,1H3,(H,23,24);4-6,9-10H,2-3,7-8H2,1H3,(H,23,24);4-5,8-9,25H,6-7,21H2,1-3H3,(H,22,23);6-9H,5,21H2,1-4H3,(H,22,23);4-9H,18H2,1-3H3,(H,19,20);3*1H4.

What are the key properties of 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one?

2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one has a molecular weight of 2492.85 g/mol, XLogP of 24.27, 21 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N,N-dimethyl-5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;6-amino-3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-fluoro-N,N-dimethylbenzamide;6-amino-2-fluoro-3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[3-[3-(2-hydroxyethyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholin-3-one;methane;[4-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-yl]methanol;1-[6-[2-methyl-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]piperidin-2-one is sourced from PubChem (CID 160984407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).