sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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

C85H95Cl3N17NaO10 — CID 161316510

About sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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

sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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 161316510) has the molecular formula C85H95Cl3N17NaO10 and a molecular weight of 1644.15 g/mol. Its IUPAC name is sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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: sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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: 161316510
• Molecular Formula: C85H95Cl3N17NaO10
• Molecular Weight: 1644.15 g/mol
• Exact Mass: 1641.64
• IUPAC Name: sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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.CN(C)CCCCl.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.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.[H-].[Na+].c1ccc2cc(-n3ccc4cccnc43)ccc2c1.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C20H14N2O3.C17H12N2.C14H20N4O.C9H9N3O.C9H8N2O2.C7H6N2.C5H12ClN.C2Cl2O2.2CH4.H3N.Na.H2O.H/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;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)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;1-7(2)5-3-4-6;3-1(5)2(4)6;;;;;;/h2-12H,1H3;1-12H;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-5H,(H,8,9);3-5H2,1-2H3;;2*1H4;1H3;;1H2;/q;;;;;;;;;;;+1;;-1
• InChIKey: XUOPCBHHRRQMSO-UHFFFAOYSA-N
• XLogP: 11.49
• TPSA: 413.47 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1644.15
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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 sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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 161316510) is sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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 sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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 sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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.CN(C)CCCCl.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.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.[H-].[Na+].c1ccc2cc(-n3ccc4cccnc43)ccc2c1.c1cnc2[nH]ccc2c1.

What is the InChIKey of sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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 XUOPCBHHRRQMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3.C17H12N2.C14H20N4O.C9H9N3O.C9H8N2O2.C7H6N2.C5H12ClN.C2Cl2O2.2CH4.H3N.Na.H2O.H/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;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)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;1-7(2)5-3-4-6;3-1(5)2(4)6;;;;;;/h2-12H,1H3;1-12H;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-5H,(H,8,9);3-5H2,1-2H3;;2*1H4;1H3;;1H2;/q;;;;;;;;;;;+1;;-1.

What are the key properties of sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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?

sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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 1644.15 g/mol, XLogP of 11.49, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azane;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;hydride;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 161316510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).