bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane

C132H148N30O11 — CID 160681439

About bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane

bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane (PubChem CID 160681439) has the molecular formula C132H148N30O11 and a molecular weight of 2330.83 g/mol. Its IUPAC name is bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane.

Molecular Properties

• Compound Name: bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane
• PubChem CID: 160681439
• Molecular Formula: C132H148N30O11
• Molecular Weight: 2330.83 g/mol
• Exact Mass: 2329.19
• IUPAC Name: bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane
• SMILES: C.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc12.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N4CC(O)C4)n3)cc12.CCc1c(C)[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc12.CCc1c(C)[nH]c2ncc(-c3cccc(N4CCOCC4=O)n3)cc12.CCc1c(C)[nH]c2ncc(-c3ccnc(N4CCOC4=O)n3)cc12
• InChI: InChI=1S/C20H21N3O2.C19H21N5O2.C19H20N4O2.2C19H22N4O.C18H21N5O.C17H17N5O2.CH4/c1-3-17-13(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;1-3-13-10(2)22-18-14(13)6-11(7-21-18)16-5-4-15(20)17(23-16)19(26)24-8-12(25)9-24;1-3-14-12(2)21-19-15(14)9-13(10-20-19)16-5-4-6-17(22-16)23-7-8-25-11-18(23)24;2*1-5-14-11(2)22-18-15(14)9-13(10-21-18)12-6-7-17(20)16(8-12)19(24)23(3)4;1-5-12-10(2)21-17-13(12)8-11(9-20-17)15-7-6-14(19)16(22-15)18(24)23(3)4;1-3-12-10(2)20-15-13(12)8-11(9-19-15)14-4-5-18-16(21-14)22-6-7-24-17(22)23;/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,21,22);4-7,12,25H,3,8-9,20H2,1-2H3,(H,21,22);4-6,9-10H,3,7-8,11H2,1-2H3,(H,20,21);2*6-10H,5,20H2,1-4H3,(H,21,22);6-9H,5,19H2,1-4H3,(H,20,21);4-5,8-9H,3,6-7H2,1-2H3,(H,19,20);1H4
• InChIKey: ROESROGZPDKSQK-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 559.38 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2330.83
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane?

The IUPAC name of bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane (CID 160681439) is bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane.

What is the SMILES notation for bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane?

The canonical SMILES for bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane is C.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)n3)cc12.CCc1c(C)[nH]c2ncc(-c3ccc(N)c(C(=O)N4CC(O)C4)n3)cc12.CCc1c(C)[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc12.CCc1c(C)[nH]c2ncc(-c3cccc(N4CCOCC4=O)n3)cc12.CCc1c(C)[nH]c2ncc(-c3ccnc(N4CCOC4=O)n3)cc12.

What is the InChIKey of bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane?

The InChIKey is ROESROGZPDKSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.C19H21N5O2.C19H20N4O2.2C19H22N4O.C18H21N5O.C17H17N5O2.CH4/c1-3-17-13(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;1-3-13-10(2)22-18-14(13)6-11(7-21-18)16-5-4-15(20)17(23-16)19(26)24-8-12(25)9-24;1-3-14-12(2)21-19-15(14)9-13(10-20-19)16-5-4-6-17(22-16)23-7-8-25-11-18(23)24;2*1-5-14-11(2)22-18-15(14)9-13(10-21-18)12-6-7-17(20)16(8-12)19(24)23(3)4;1-5-12-10(2)21-17-13(12)8-11(9-20-17)15-7-6-14(19)16(22-15)18(24)23(3)4;1-3-12-10(2)20-15-13(12)8-11(9-19-15)14-4-5-18-16(21-14)22-6-7-24-17(22)23;/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,21,22);4-7,12,25H,3,8-9,20H2,1-2H3,(H,21,22);4-6,9-10H,3,7-8,11H2,1-2H3,(H,20,21);2*6-10H,5,20H2,1-4H3,(H,21,22);6-9H,5,19H2,1-4H3,(H,20,21);4-5,8-9H,3,6-7H2,1-2H3,(H,19,20);1H4.

What are the key properties of bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane?

bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane has a molecular weight of 2330.83 g/mol, XLogP of 21.25, 21 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-amino-5-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide);3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylpyridine-2-carboxamide;[3-amino-6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone;4-[3-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one;4-[6-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholin-3-one;3-[4-(3-ethyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one;methane is sourced from PubChem (CID 160681439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).