1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone

C93H69Br2N25O4 — CID 157326796

About 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone

1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone (PubChem CID 157326796) has the molecular formula C93H69Br2N25O4 and a molecular weight of 1760.55 g/mol. Its IUPAC name is 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone.

Molecular Properties

• Compound Name: 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone
• PubChem CID: 157326796
• Molecular Formula: C93H69Br2N25O4
• Molecular Weight: 1760.55 g/mol
• Exact Mass: 1757.43
• IUPAC Name: 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone
• SMILES: Brc1[nH]nc2cccnc12.CC(=O)Nc1cccnc1C.CC(=O)n1ncc2ncccc21.Cn1nc(Br)c2ncccc21.O=C(O)c1cnc2n[nH]c(-c3ccc4ccccc4c3)c2c1.[C-]#[N+]c1cnc2c(c1)c(-c1ccc3ccccc3c1)nn2Cc1ccccc1.[C-]#[N+]c1cnc2n[nH]c(-c3ccc4ccccc4c3)c2c1.c1cnc2cn[nH]c2c1
• InChI: InChI=1S/C24H16N4.C17H10N4.C17H11N3O2.C8H7N3O.C8H10N2O.C7H6BrN3.C6H4BrN3.C6H5N3/c1-25-21-14-22-23(20-12-11-18-9-5-6-10-19(18)13-20)27-28(24(22)26-15-21)16-17-7-3-2-4-8-17;1-18-14-9-15-16(20-21-17(15)19-10-14)13-7-6-11-4-2-3-5-12(11)8-13;21-17(22)13-8-14-15(19-20-16(14)18-9-13)12-6-5-10-3-1-2-4-11(10)7-12;1-6(12)11-8-3-2-4-9-7(8)5-10-11;1-6-8(10-7(2)11)4-3-5-9-6;1-11-5-3-2-4-9-6(5)7(8)10-11;7-6-5-4(9-10-6)2-1-3-8-5;1-2-5-6(7-3-1)4-8-9-5/h2-15H,16H2;2-10H,(H,19,20,21);1-9H,(H,21,22)(H,18,19,20);2-5H,1H3;3-5H,1-2H3,(H,10,11);2-4H,1H3;1-3H,(H,9,10);1-4H,(H,8,9)
• InChIKey: BEUZWMUCPQEQEM-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 363.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1760.55
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone?

The IUPAC name of 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone (CID 157326796) is 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone.

What is the SMILES notation for 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone?

The canonical SMILES for 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone is Brc1[nH]nc2cccnc12.CC(=O)Nc1cccnc1C.CC(=O)n1ncc2ncccc21.Cn1nc(Br)c2ncccc21.O=C(O)c1cnc2n[nH]c(-c3ccc4ccccc4c3)c2c1.[C-]#[N+]c1cnc2c(c1)c(-c1ccc3ccccc3c1)nn2Cc1ccccc1.[C-]#[N+]c1cnc2n[nH]c(-c3ccc4ccccc4c3)c2c1.c1cnc2cn[nH]c2c1.

What is the InChIKey of 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone?

The InChIKey is BEUZWMUCPQEQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4.C17H10N4.C17H11N3O2.C8H7N3O.C8H10N2O.C7H6BrN3.C6H4BrN3.C6H5N3/c1-25-21-14-22-23(20-12-11-18-9-5-6-10-19(18)13-20)27-28(24(22)26-15-21)16-17-7-3-2-4-8-17;1-18-14-9-15-16(20-21-17(15)19-10-14)13-7-6-11-4-2-3-5-12(11)8-13;21-17(22)13-8-14-15(19-20-16(14)18-9-13)12-6-5-10-3-1-2-4-11(10)7-12;1-6(12)11-8-3-2-4-9-7(8)5-10-11;1-6-8(10-7(2)11)4-3-5-9-6;1-11-5-3-2-4-9-6(5)7(8)10-11;7-6-5-4(9-10-6)2-1-3-8-5;1-2-5-6(7-3-1)4-8-9-5/h2-15H,16H2;2-10H,(H,19,20,21);1-9H,(H,21,22)(H,18,19,20);2-5H,1H3;3-5H,1-2H3,(H,10,11);2-4H,1H3;1-3H,(H,9,10);1-4H,(H,8,9).

What are the key properties of 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone?

1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone has a molecular weight of 1760.55 g/mol, XLogP of 20.50, 7 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone is sourced from PubChem (CID 157326796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).