potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide

C78H93BrClKN13NaO8 — CID 159195251

About potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide

potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide (PubChem CID 159195251) has the molecular formula C78H93BrClKN13NaO8 and a molecular weight of 1518.13 g/mol. Its IUPAC name is potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide.

Molecular Properties

• Compound Name: potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide
• PubChem CID: 159195251
• Molecular Formula: C78H93BrClKN13NaO8
• Molecular Weight: 1518.13 g/mol
• Exact Mass: 1515.57
• IUPAC Name: potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide
• SMILES: Brc1cccnc1.C1CCOC1.CC(C)(C)[O-].CN(C)CCCCl.CN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.COC(=O)C(=O)c1cn(CCCN(C)C)c2ccccc12.NC(=O)Cc1nn(-c2cccnc2)c2ccccc12.[H-].[K+].[Na+]
• InChI: InChI=1S/C30H27N5O2.C16H20N2O3.C14H12N4O.C5H4BrN.C5H12ClN.C4H8O.C4H9O.K.Na.H/c1-33(2)17-10-18-35-25-16-9-7-14-22(25)28(32-35)27-26(29(36)31-30(27)37)23-19-34(20-11-4-3-5-12-20)24-15-8-6-13-21(23)24;1-17(2)9-6-10-18-11-13(15(19)16(20)21-3)12-7-4-5-8-14(12)18;15-14(19)8-12-11-5-1-2-6-13(11)18(17-12)10-4-3-7-16-9-10;6-5-2-1-3-7-4-5;1-7(2)5-3-4-6;1-2-4-5-3-1;1-4(2,3)5;;;/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,31,36,37);4-5,7-8,11H,6,9-10H2,1-3H3;1-7,9H,8H2,(H2,15,19);1-4H;3-5H2,1-2H3;1-4H2;1-3H3;;;/q;;;;;;-1;2*+1;-1
• InChIKey: MSYRCKCLVYFONU-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 245.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.13
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide?

The IUPAC name of potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide (CID 159195251) is potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide.

What is the SMILES notation for potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide?

The canonical SMILES for potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide is Brc1cccnc1.C1CCOC1.CC(C)(C)[O-].CN(C)CCCCl.CN(C)CCCn1nc(C2=C(c3cn(-c4ccccc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.COC(=O)C(=O)c1cn(CCCN(C)C)c2ccccc12.NC(=O)Cc1nn(-c2cccnc2)c2ccccc12.[H-].[K+].[Na+].

What is the InChIKey of potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide?

The InChIKey is MSYRCKCLVYFONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2.C16H20N2O3.C14H12N4O.C5H4BrN.C5H12ClN.C4H8O.C4H9O.K.Na.H/c1-33(2)17-10-18-35-25-16-9-7-14-22(25)28(32-35)27-26(29(36)31-30(27)37)23-19-34(20-11-4-3-5-12-20)24-15-8-6-13-21(23)24;1-17(2)9-6-10-18-11-13(15(19)16(20)21-3)12-7-4-5-8-14(12)18;15-14(19)8-12-11-5-1-2-6-13(11)18(17-12)10-4-3-7-16-9-10;6-5-2-1-3-7-4-5;1-7(2)5-3-4-6;1-2-4-5-3-1;1-4(2,3)5;;;/h3-9,11-16,19H,10,17-18H2,1-2H3,(H,31,36,37);4-5,7-8,11H,6,9-10H2,1-3H3;1-7,9H,8H2,(H2,15,19);1-4H;3-5H2,1-2H3;1-4H2;1-3H3;;;/q;;;;;;-1;2*+1;-1.

What are the key properties of potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide?

potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide has a molecular weight of 1518.13 g/mol, XLogP of 5.98, 19 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-phenylindol-3-yl)pyrrole-2,5-dione;hydride;methyl 2-[1-[3-(dimethylamino)propyl]indol-3-yl]-2-oxoacetate;2-methylpropan-2-olate;oxolane;2-(1-pyridin-3-ylindazol-3-yl)acetamide is sourced from PubChem (CID 159195251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).