bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine

C75H69Br2N23O7S2 — CID 158313392

About bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine

bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 158313392) has the molecular formula C75H69Br2N23O7S2 and a molecular weight of 1628.47 g/mol. Its IUPAC name is bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

• Compound Name: bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
• PubChem CID: 158313392
• Molecular Formula: C75H69Br2N23O7S2
• Molecular Weight: 1628.47 g/mol
• Exact Mass: 1625.36
• IUPAC Name: bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
• SMILES: Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-n4cccn4)cc3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1cnc2[nH]c(-n3cccn3)cc2c1.Cc1cnc2c(c1)cc(Br)n2S(=O)(=O)c1ccccc1.Cc1cnc2c(c1)cc(Br)n2S(=O)(=O)c1ccccc1.Nc1cnc2[nH]c(-n3cccn3)cc2c1.c1cn[nH]c1
• InChI: InChI=1S/C17H16N6O.2C14H11BrN2O2S.C11H10N4.C10H9N5.C6H8N2O2.C3H4N2/c1-10-11(2)21-22-16(10)14(24)7-12-6-13-8-15(20-17(13)18-9-12)23-5-3-4-19-23;2*1-10-7-11-8-13(15)17(14(11)16-9-10)20(18,19)12-5-3-2-4-6-12;1-8-5-9-6-10(14-11(9)12-7-8)15-4-2-3-13-15;11-8-4-7-5-9(14-10(7)12-6-8)15-3-1-2-13-15;1-3-4(2)7-8-5(3)6(9)10;1-2-4-5-3-1/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,21,22);2*2-9H,1H3;2-7H,1H3,(H,12,14);1-6H,11H2,(H,12,14);1-2H3,(H,7,8)(H,9,10);1-3H,(H,4,5)
• InChIKey: GNYMHNWXTOXHJQ-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 409.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1628.47
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The IUPAC name of bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 158313392) is bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine.

What is the SMILES notation for bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The canonical SMILES for bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine is Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-n4cccn4)cc3c2)c1C.Cc1[nH]nc(C(=O)O)c1C.Cc1cnc2[nH]c(-n3cccn3)cc2c1.Cc1cnc2c(c1)cc(Br)n2S(=O)(=O)c1ccccc1.Cc1cnc2c(c1)cc(Br)n2S(=O)(=O)c1ccccc1.Nc1cnc2[nH]c(-n3cccn3)cc2c1.c1cn[nH]c1.

What is the InChIKey of bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The InChIKey is GNYMHNWXTOXHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O.2C14H11BrN2O2S.C11H10N4.C10H9N5.C6H8N2O2.C3H4N2/c1-10-11(2)21-22-16(10)14(24)7-12-6-13-8-15(20-17(13)18-9-12)23-5-3-4-19-23;2*1-10-7-11-8-13(15)17(14(11)16-9-10)20(18,19)12-5-3-2-4-6-12;1-8-5-9-6-10(14-11(9)12-7-8)15-4-2-3-13-15;11-8-4-7-5-9(14-10(7)12-6-8)15-3-1-2-13-15;1-3-4(2)7-8-5(3)6(9)10;1-2-4-5-3-1/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,21,22);2*2-9H,1H3;2-7H,1H3,(H,12,14);1-6H,11H2,(H,12,14);1-2H3,(H,7,8)(H,9,10);1-3H,(H,4,5).

What are the key properties of bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?

bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 1628.47 g/mol, XLogP of 13.72, 11 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(benzenesulfonyl)-2-bromo-5-methylpyrrolo[2,3-b]pyridine);4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;5-methyl-2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridine;1H-pyrazole;2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 158313392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).