azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate

C66H62Cl2N12O9 — CID 159104617

About azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate

azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate (PubChem CID 159104617) has the molecular formula C66H62Cl2N12O9 and a molecular weight of 1238.20 g/mol. Its IUPAC name is azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate.

Molecular Properties

• Compound Name: azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate
• PubChem CID: 159104617
• Molecular Formula: C66H62Cl2N12O9
• Molecular Weight: 1238.20 g/mol
• Exact Mass: 1236.41
• IUPAC Name: azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate
• SMILES: C.C.COC(=O)C(=O)c1cn(-c2ccc3ccccc3c2)c2ncccc12.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(Cl)C(=O)Cl.O=C(O)Cc1[nH]nc2ccccc12.c1ccc2cc(-n3ccc4cccnc43)ccc2c1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C20H14N2O3.C17H12N2.C9H9N3O.C9H8N2O2.C7H6N2.C2Cl2O2.2CH4.H3N.H2O/c1-25-20(24)18(23)17-12-22(19-16(17)7-4-10-21-19)15-9-8-13-5-2-3-6-14(13)11-15;1-2-5-15-12-16(8-7-13(15)4-1)19-11-9-14-6-3-10-18-17(14)19;10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;12-9(13)5-8-6-3-1-2-4-7(6)10-11-8;1-2-6-3-5-9-7(6)8-4-1;3-1(5)2(4)6;;;;/h2-12H,1H3;1-12H;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-5H,(H,8,9);;2*1H4;1H3;1H2
• InChIKey: CLLDJWSUCFSERM-UHFFFAOYSA-N
• XLogP: 12.18
• TPSA: 346.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1238.20
LogP ≤ 5	12.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate?

The IUPAC name of azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate (CID 159104617) is azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate.

What is the SMILES notation for azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate?

The canonical SMILES for azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate is C.C.COC(=O)C(=O)c1cn(-c2ccc3ccccc3c2)c2ncccc12.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(Cl)C(=O)Cl.O=C(O)Cc1[nH]nc2ccccc12.c1ccc2cc(-n3ccc4cccnc43)ccc2c1.c1cnc2[nH]ccc2c1.

What is the InChIKey of azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate?

The InChIKey is CLLDJWSUCFSERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3.C17H12N2.C9H9N3O.C9H8N2O2.C7H6N2.C2Cl2O2.2CH4.H3N.H2O/c1-25-20(24)18(23)17-12-22(19-16(17)7-4-10-21-19)15-9-8-13-5-2-3-6-14(13)11-15;1-2-5-15-12-16(8-7-13(15)4-1)19-11-9-14-6-3-10-18-17(14)19;10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;12-9(13)5-8-6-3-1-2-4-7(6)10-11-8;1-2-6-3-5-9-7(6)8-4-1;3-1(5)2(4)6;;;;/h2-12H,1H3;1-12H;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-5H,(H,8,9);;2*1H4;1H3;1H2.

What are the key properties of azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate?

azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate has a molecular weight of 1238.20 g/mol, XLogP of 12.18, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate is sourced from PubChem (CID 159104617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).