potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate

C116H131BrClKN23NaO12 — CID 157327508

IUPACpotassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate
SMILESBrc1cccnc1.C1CCOC1.CC(C)(C)[O-].CN(C)CCCCl.CN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.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-].[K+].[Na+].c1ccc2[nH]ccc2c1.c1cncc(-n2ccc3ccccc32)c1
InChIInChI=1S/C29H26N6O2.C16H12N2O3.C14H20N4O.C13H10N2.C9H9N3O.C9H8N2O2.C8H7N.C5H4BrN.C5H12ClN.C4H8O.C4H9O.K.H3N.Na.H2O.H/c1-33(2)15-8-16-35-24-13-6-4-11-21(24)27(32-35)26-25(28(36)31-29(26)37)22-18-34(19-9-7-14-30-17-19)23-12-5-3-10-20(22)23;1-21-16(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;1-2-4-5-3-1;1-4(2,3)5;;;;;/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,31,36,37);2-10H,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;1-4H2;1-3H3;;1H3;;1H2;/q;;;;;;;;;;-1;+1;;+1;;-1
InChIKeyJZVNIADQDFTJRO-UHFFFAOYSA-N
MW2216.92 g/mol
LogP11.69
Rot. Bonds24

About potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate

potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate (PubChem CID 157327508) has the molecular formula C116H131BrClKN23NaO12 and a molecular weight of 2216.92 g/mol. Its IUPAC name is potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate.

Molecular Properties

Compound Namepotassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate
PubChem CID157327508
Molecular FormulaC116H131BrClKN23NaO12
Molecular Weight2216.92 g/mol
Exact Mass2213.88
IUPAC Namepotassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate
SMILESBrc1cccnc1.C1CCOC1.CC(C)(C)[O-].CN(C)CCCCl.CN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.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-].[K+].[Na+].c1ccc2[nH]ccc2c1.c1cncc(-n2ccc3ccccc32)c1
InChIInChI=1S/C29H26N6O2.C16H12N2O3.C14H20N4O.C13H10N2.C9H9N3O.C9H8N2O2.C8H7N.C5H4BrN.C5H12ClN.C4H8O.C4H9O.K.H3N.Na.H2O.H/c1-33(2)15-8-16-35-24-13-6-4-11-21(24)27(32-35)26-25(28(36)31-29(26)37)22-18-34(19-9-7-14-30-17-19)23-12-5-3-10-20(22)23;1-21-16(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;1-2-4-5-3-1;1-4(2,3)5;;;;;/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,31,36,37);2-10H,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;1-4H2;1-3H3;;1H3;;1H2;/q;;;;;;;;;;-1;+1;;+1;;-1
InChIKeyJZVNIADQDFTJRO-UHFFFAOYSA-N
XLogP11.69
TPSA496.67 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.92
LogP ≤ 511.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

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'}

Analyze potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate?
The IUPAC name of potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate (CID 157327508) is potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate.
What is the SMILES notation for potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate?
The canonical SMILES for potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate is Brc1cccnc1.C1CCOC1.CC(C)(C)[O-].CN(C)CCCCl.CN(C)CCCn1nc(C2=C(c3cn(-c4cccnc4)c4ccccc34)C(=O)NC2=O)c2ccccc21.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-].[K+].[Na+].c1ccc2[nH]ccc2c1.c1cncc(-n2ccc3ccccc32)c1.
What is the InChIKey of potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate?
The InChIKey is JZVNIADQDFTJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2.C16H12N2O3.C14H20N4O.C13H10N2.C9H9N3O.C9H8N2O2.C8H7N.C5H4BrN.C5H12ClN.C4H8O.C4H9O.K.H3N.Na.H2O.H/c1-33(2)15-8-16-35-24-13-6-4-11-21(24)27(32-35)26-25(28(36)31-29(26)37)22-18-34(19-9-7-14-30-17-19)23-12-5-3-10-20(22)23;1-21-16(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;1-2-4-5-3-1;1-4(2,3)5;;;;;/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,31,36,37);2-10H,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;1-4H2;1-3H3;;1H3;;1H2;/q;;;;;;;;;;-1;+1;;+1;;-1.
What are the key properties of potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate?
potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate has a molecular weight of 2216.92 g/mol, XLogP of 11.69, 24 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;azane;3-bromopyridine;3-chloro-N,N-dimethylpropan-1-amine;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;3-[1-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-pyridin-3-ylindol-3-yl)pyrrole-2,5-dione;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;2-methylpropan-2-olate;oxolane;1-pyridin-3-ylindole;hydrate is sourced from PubChem (CID 157327508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).