2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide

C110H107BBr2N20O13S2 — CID 160699979

About 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide

2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide (PubChem CID 160699979) has the molecular formula C110H107BBr2N20O13S2 and a molecular weight of 2151.95 g/mol. Its IUPAC name is 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide.

Molecular Properties

• Compound Name: 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide
• PubChem CID: 160699979
• Molecular Formula: C110H107BBr2N20O13S2
• Molecular Weight: 2151.95 g/mol
• Exact Mass: 2148.62
• IUPAC Name: 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide
• SMILES: CN(C)C(=O)c1cc(Br)ccc1N.CN(C)C(=O)c1cc(Br)ccc1Nc1cncnc1.COc1ccccc1-c1c[nH]c2ncc(-c3ccc(Nc4cncnc4)c(C(=O)N(C)C)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(Nc4cncnc4)c(C(=O)N(C)C)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12
• InChI: InChI=1S/C34H30N6O4S.C27H29BN2O5S.C27H24N6O2.C13H13BrN4O.C9H11BrN2O/c1-22-9-12-26(13-10-22)45(42,43)40-20-30(27-7-5-6-8-32(27)44-4)28-16-24(17-37-33(28)40)23-11-14-31(29(15-23)34(41)39(2)3)38-25-18-35-21-36-19-25;1-18-11-13-20(14-12-18)36(31,32)30-17-23(21-9-7-8-10-24(21)33-6)22-15-19(16-29-25(22)30)28-34-26(2,3)27(4,5)35-28;1-33(2)27(34)22-10-17(8-9-24(22)32-19-13-28-16-29-14-19)18-11-21-23(15-31-26(21)30-12-18)20-6-4-5-7-25(20)35-3;1-18(2)13(19)11-5-9(14)3-4-12(11)17-10-6-15-8-16-7-10;1-12(2)9(13)7-5-6(10)3-4-8(7)11/h5-21,38H,1-4H3;7-17H,1-6H3;4-16,32H,1-3H3,(H,30,31);3-8,17H,1-2H3;3-5H,11H2,1-2H3
• InChIKey: RQMKHCKBOLYINL-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 399.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2151.95
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide?

The IUPAC name of 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide (CID 160699979) is 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide.

What is the SMILES notation for 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide?

The canonical SMILES for 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide is CN(C)C(=O)c1cc(Br)ccc1N.CN(C)C(=O)c1cc(Br)ccc1Nc1cncnc1.COc1ccccc1-c1c[nH]c2ncc(-c3ccc(Nc4cncnc4)c(C(=O)N(C)C)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(-c3ccc(Nc4cncnc4)c(C(=O)N(C)C)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide?

The InChIKey is RQMKHCKBOLYINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N6O4S.C27H29BN2O5S.C27H24N6O2.C13H13BrN4O.C9H11BrN2O/c1-22-9-12-26(13-10-22)45(42,43)40-20-30(27-7-5-6-8-32(27)44-4)28-16-24(17-37-33(28)40)23-11-14-31(29(15-23)34(41)39(2)3)38-25-18-35-21-36-19-25;1-18-11-13-20(14-12-18)36(31,32)30-17-23(21-9-7-8-10-24(21)33-6)22-15-19(16-29-25(22)30)28-34-26(2,3)27(4,5)35-28;1-33(2)27(34)22-10-17(8-9-24(22)32-19-13-28-16-29-14-19)18-11-21-23(15-31-26(21)30-12-18)20-6-4-5-7-25(20)35-3;1-18(2)13(19)11-5-9(14)3-4-12(11)17-10-6-15-8-16-7-10;1-12(2)9(13)7-5-6(10)3-4-8(7)11/h5-21,38H,1-4H3;7-17H,1-6H3;4-16,32H,1-3H3,(H,30,31);3-8,17H,1-2H3;3-5H,11H2,1-2H3.

What are the key properties of 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide?

2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide has a molecular weight of 2151.95 g/mol, XLogP of 20.27, 23 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromo-N,N-dimethylbenzamide;5-bromo-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-2-(pyrimidin-5-ylamino)benzamide is sourced from PubChem (CID 160699979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).