5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea

C92H77Br6N21O8S6 — CID 159273596

About 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea

5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea (PubChem CID 159273596) has the molecular formula C92H77Br6N21O8S6 and a molecular weight of 2276.59 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea.

Molecular Properties

• Compound Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea
• PubChem CID: 159273596
• Molecular Formula: C92H77Br6N21O8S6
• Molecular Weight: 2276.59 g/mol
• Exact Mass: 2268.97
• IUPAC Name: 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea
• SMILES: Brc1cnc2[nH]cc(-c3ccnc(CCc4ccccc4)n3)c2c1.Brc1cnc2[nH]ccc2c1.CC(=O)c1c[nH]c2ncc(Br)cc12.CSc1nccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)n1.Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(=S)[nH]3)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(C(=O)/C=C/N(C)C)c3cc(Br)cnc32)cc1.NC(N)=S
• InChI: InChI=1S/C19H15BrN4O2S2.C19H15BrN4.C19H18BrN3O3S.C18H13BrN4O2S2.C9H7BrN2O.C7H5BrN2.CH4N2S/c1-12-3-5-14(6-4-12)28(25,26)24-11-16(15-9-13(20)10-22-18(15)24)17-7-8-21-19(23-17)27-2;20-14-10-15-16(12-23-19(15)22-11-14)17-8-9-21-18(24-17)7-6-13-4-2-1-3-5-13;1-13-4-6-15(7-5-13)27(25,26)23-12-17(18(24)8-9-22(2)3)16-10-14(20)11-21-19(16)23;1-11-2-4-13(5-3-11)27(24,25)23-10-15(16-6-7-20-18(26)22-16)14-8-12(19)9-21-17(14)23;1-5(13)8-4-12-9-7(8)2-6(10)3-11-9;8-6-3-5-1-2-9-7(5)10-4-6;2-1(3)4/h3-11H,1-2H3;1-5,8-12H,6-7H2,(H,22,23);4-12H,1-3H3;2-10H,1H3,(H,20,22,26);2-4H,1H3,(H,11,12);1-4H,(H,9,10);(H4,2,3,4)/b;;9-8+
• InChIKey: KXZZEWBBRHUANA-TWBWSDBDSA-N
• XLogP: 21.20
• TPSA: 411.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2276.59
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea?

The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea (CID 159273596) is 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea.

What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea?

The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea is Brc1cnc2[nH]cc(-c3ccnc(CCc4ccccc4)n3)c2c1.Brc1cnc2[nH]ccc2c1.CC(=O)c1c[nH]c2ncc(Br)cc12.CSc1nccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)n1.Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(=S)[nH]3)c3cc(Br)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(C(=O)/C=C/N(C)C)c3cc(Br)cnc32)cc1.NC(N)=S.

What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea?

The InChIKey is KXZZEWBBRHUANA-TWBWSDBDSA-N. The full InChI is InChI=1S/C19H15BrN4O2S2.C19H15BrN4.C19H18BrN3O3S.C18H13BrN4O2S2.C9H7BrN2O.C7H5BrN2.CH4N2S/c1-12-3-5-14(6-4-12)28(25,26)24-11-16(15-9-13(20)10-22-18(15)24)17-7-8-21-19(23-17)27-2;20-14-10-15-16(12-23-19(15)22-11-14)17-8-9-21-18(24-17)7-6-13-4-2-1-3-5-13;1-13-4-6-15(7-5-13)27(25,26)23-12-17(18(24)8-9-22(2)3)16-10-14(20)11-21-19(16)23;1-11-2-4-13(5-3-11)27(24,25)23-10-15(16-6-7-20-18(26)22-16)14-8-12(19)9-21-17(14)23;1-5(13)8-4-12-9-7(8)2-6(10)3-11-9;8-6-3-5-1-2-9-7(5)10-4-6;2-1(3)4/h3-11H,1-2H3;1-5,8-12H,6-7H2,(H,22,23);4-12H,1-3H3;2-10H,1H3,(H,20,22,26);2-4H,1H3,(H,11,12);1-4H,(H,9,10);(H4,2,3,4)/b;;9-8+;;;;.

What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea?

5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea has a molecular weight of 2276.59 g/mol, XLogP of 21.20, 17 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;(E)-1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone;thiourea is sourced from PubChem (CID 159273596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).