3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid

C78H65BrN14O6 — CID 157438712

About 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid

3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid (PubChem CID 157438712) has the molecular formula C78H65BrN14O6 and a molecular weight of 1374.37 g/mol. Its IUPAC name is 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid
• PubChem CID: 157438712
• Molecular Formula: C78H65BrN14O6
• Molecular Weight: 1374.37 g/mol
• Exact Mass: 1372.44
• IUPAC Name: 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid
• SMILES: CCOC(=O)c1cncc(-c2cnc3c(c2)C(c2ccccc2C)=NC3)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)N4CCCC4)c3)cc12.Cc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)O)c3)cc12.Cc1ccccc1C1=NCc2ncc(Br)cc21
• InChI: InChI=1S/C23H21N5O2.C22H19N3O2.C19H14N4O2.C14H11BrN2/c1-30-20-7-3-2-6-18(20)21-19-11-16(14-25-22(19)27-26-21)15-10-17(13-24-12-15)23(29)28-8-4-5-9-28;1-3-27-22(26)17-8-15(10-23-11-17)16-9-19-20(24-12-16)13-25-21(19)18-7-5-4-6-14(18)2;1-11-4-2-3-5-15(11)17-16-7-13(10-21-18(16)23-22-17)12-6-14(19(24)25)9-20-8-12;1-9-4-2-3-5-11(9)14-12-6-10(15)7-16-13(12)8-17-14/h2-3,6-7,10-14H,4-5,8-9H2,1H3,(H,25,26,27);4-12H,3,13H2,1-2H3;2-10H,1H3,(H,24,25)(H,21,22,23);2-7H,8H2,1H3
• InChIKey: BRKIVNHIAVFNHS-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 265.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.37
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid?

The IUPAC name of 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid (CID 157438712) is 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid is CCOC(=O)c1cncc(-c2cnc3c(c2)C(c2ccccc2C)=NC3)c1.COc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)N4CCCC4)c3)cc12.Cc1ccccc1-c1[nH]nc2ncc(-c3cncc(C(=O)O)c3)cc12.Cc1ccccc1C1=NCc2ncc(Br)cc21.

What is the InChIKey of 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid?

The InChIKey is BRKIVNHIAVFNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2.C22H19N3O2.C19H14N4O2.C14H11BrN2/c1-30-20-7-3-2-6-18(20)21-19-11-16(14-25-22(19)27-26-21)15-10-17(13-24-12-15)23(29)28-8-4-5-9-28;1-3-27-22(26)17-8-15(10-23-11-17)16-9-19-20(24-12-16)13-25-21(19)18-7-5-4-6-14(18)2;1-11-4-2-3-5-15(11)17-16-7-13(10-21-18(16)23-22-17)12-6-14(19(24)25)9-20-8-12;1-9-4-2-3-5-11(9)14-12-6-10(15)7-16-13(12)8-17-14/h2-3,6-7,10-14H,4-5,8-9H2,1H3,(H,25,26,27);4-12H,3,13H2,1-2H3;2-10H,1H3,(H,24,25)(H,21,22,23);2-7H,8H2,1H3.

What are the key properties of 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid?

3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid has a molecular weight of 1374.37 g/mol, XLogP of 15.11, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridine;ethyl 5-[5-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]pyridine-3-carboxylate;[5-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157438712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).