sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate

C79H88BrClN17NaO8 — CID 158086519

About sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate

sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate (PubChem CID 158086519) has the molecular formula C79H88BrClN17NaO8 and a molecular weight of 1542.03 g/mol. Its IUPAC name is sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate.

Molecular Properties

• Compound Name: sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate
• PubChem CID: 158086519
• Molecular Formula: C79H88BrClN17NaO8
• Molecular Weight: 1542.03 g/mol
• Exact Mass: 1539.58
• IUPAC Name: sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate
• SMILES: Brc1cccnc1.CN(C)CCCCl.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2cccnc2)c2ccccc12.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(O)Cc1[nH]nc2ccccc12.[H-].[Na+].c1ccc2[nH]ccc2c1.c1cncc(-n2ccc3ccccc32)c1
• InChI: InChI=1S/C16H12N2O3.C14H20N4O.C13H10N2.C9H9N3O.C9H8N2O2.C8H7N.C5H4BrN.C5H12ClN.H3N.Na.H2O.H/c1-21-16(20)15(19)13-10-18(11-5-4-8-17-9-11)14-7-3-2-6-12(13)14;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)19;1-2-6-13-11(4-1)7-9-15(13)12-5-3-8-14-10-12;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;1-2-4-8-7(3-1)5-6-9-8;6-5-2-1-3-7-4-5;1-7(2)5-3-4-6;;;;/h2-10H,1H3;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-10H;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-6,9H;1-4H;3-5H2,1-2H3;1H3;;1H2;/q;;;;;;;;;+1;;-1
• InChIKey: ZNVODNNQFSJKIX-UHFFFAOYSA-N
• XLogP: 9.85
• TPSA: 379.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1542.03
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'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-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate?

The IUPAC name of sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate (CID 158086519) is sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate.

What is the SMILES notation for sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate?

The canonical SMILES for sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate is Brc1cccnc1.CN(C)CCCCl.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2cccnc2)c2ccccc12.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(O)Cc1[nH]nc2ccccc12.[H-].[Na+].c1ccc2[nH]ccc2c1.c1cncc(-n2ccc3ccccc32)c1.

What is the InChIKey of sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate?

The InChIKey is ZNVODNNQFSJKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3.C14H20N4O.C13H10N2.C9H9N3O.C9H8N2O2.C8H7N.C5H4BrN.C5H12ClN.H3N.Na.H2O.H/c1-21-16(20)15(19)13-10-18(11-5-4-8-17-9-11)14-7-3-2-6-12(13)14;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)19;1-2-6-13-11(4-1)7-9-15(13)12-5-3-8-14-10-12;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;1-2-4-8-7(3-1)5-6-9-8;6-5-2-1-3-7-4-5;1-7(2)5-3-4-6;;;;/h2-10H,1H3;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-10H;1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-6,9H;1-4H;3-5H2,1-2H3;1H3;;1H2;/q;;;;;;;;;+1;;-1.

What are the key properties of sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate?

sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate has a molecular weight of 1542.03 g/mol, XLogP of 9.85, 17 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;azane;3-bromopyridine;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;1H-indole;methyl 2-oxo-2-(1-pyridin-3-ylindol-3-yl)acetate;1-pyridin-3-ylindole;hydrate is sourced from PubChem (CID 158086519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).