potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane

C98H120Br3Cl4KN16O12 — CID 162267659

IUPACpotassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
SMILESBrCCBr.C.C1CCOC1.C=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21.CC(C)(C)[O-].CCCCN(C)C.CN(C)CCCCl.COC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.COC(=O)C(=O)c1cn(CCBr)c2ccccc12.Clc1ccc2[nH]ccc2c1.NC(=O)Cc1[nH]nc2ccccc12.NC(=O)Cc1[nH]nc2ccccc12.[K+]
InChIInChI=1S/C26H24ClN5O2.C13H12BrNO3.C11H8ClNO3.2C9H9N3O.C8H6ClN.C6H15N.C5H12ClN.C4H8O.C4H9O.C2H4Br2.CH4.K/c1-4-31-15-19(18-14-16(27)10-11-20(18)31)22-23(26(34)28-25(22)33)24-17-8-5-6-9-21(17)32(29-24)13-7-12-30(2)3;1-18-13(17)12(16)10-8-15(7-6-14)11-5-3-2-4-9(10)11;1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9;2*10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;9-7-1-2-8-6(5-7)3-4-10-8;1-4-5-6-7(2)3;1-7(2)5-3-4-6;1-2-4-5-3-1;1-4(2,3)5;3-1-2-4;;/h4-6,8-11,14-15H,1,7,12-13H2,2-3H3,(H,28,33,34);2-5,8H,6-7H2,1H3;2-5,13H,1H3;2*1-4H,5H2,(H2,10,13)(H,11,12);1-5,10H;4-6H2,1-3H3;3-5H2,1-2H3;1-4H2;1-3H3;1-2H2;1H4;/q;;;;;;;;;-1;;;+1
InChIKeyIXOWROKPYGVEKX-UHFFFAOYSA-N
MW2134.76 g/mol
LogP15.72
Rot. Bonds24

About potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane

potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane (PubChem CID 162267659) has the molecular formula C98H120Br3Cl4KN16O12 and a molecular weight of 2134.76 g/mol. Its IUPAC name is potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane.

Molecular Properties

Compound Namepotassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
PubChem CID162267659
Molecular FormulaC98H120Br3Cl4KN16O12
Molecular Weight2134.76 g/mol
Exact Mass2128.52
IUPAC Namepotassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
SMILESBrCCBr.C.C1CCOC1.C=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21.CC(C)(C)[O-].CCCCN(C)C.CN(C)CCCCl.COC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.COC(=O)C(=O)c1cn(CCBr)c2ccccc12.Clc1ccc2[nH]ccc2c1.NC(=O)Cc1[nH]nc2ccccc12.NC(=O)Cc1[nH]nc2ccccc12.[K+]
InChIInChI=1S/C26H24ClN5O2.C13H12BrNO3.C11H8ClNO3.2C9H9N3O.C8H6ClN.C6H15N.C5H12ClN.C4H8O.C4H9O.C2H4Br2.CH4.K/c1-4-31-15-19(18-14-16(27)10-11-20(18)31)22-23(26(34)28-25(22)33)24-17-8-5-6-9-21(17)32(29-24)13-7-12-30(2)3;1-18-13(17)12(16)10-8-15(7-6-14)11-5-3-2-4-9(10)11;1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9;2*10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;9-7-1-2-8-6(5-7)3-4-10-8;1-4-5-6-7(2)3;1-7(2)5-3-4-6;1-2-4-5-3-1;1-4(2,3)5;3-1-2-4;;/h4-6,8-11,14-15H,1,7,12-13H2,2-3H3,(H,28,33,34);2-5,8H,6-7H2,1H3;2-5,13H,1H3;2*1-4H,5H2,(H2,10,13)(H,11,12);1-5,10H;4-6H2,1-3H3;3-5H2,1-2H3;1-4H2;1-3H3;1-2H2;1H4;/q;;;;;;;;;-1;;;+1
InChIKeyIXOWROKPYGVEKX-UHFFFAOYSA-N
XLogP15.72
TPSA377.72 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002134.76
LogP ≤ 515.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

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;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane with MolForge

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Related Compounds

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
bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate
CID 157331948
2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 157613844
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
potassium;bromobenzene;5-chloro-1H-indole;5-chloro-1-phenylindole;3-(5-chloro-1-phenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;2-[1-[3-(dimethylamino)propyl]indazol-3-yl]acetamide;methyl 2-(5-chloro-1-phenylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
CID 158198455
CID 158464716
CID 158464716
CID 158961873
CID 158961873
2-(5-chloro-2H-indazol-3-yl)acetic acid;2-(5-chloro-2H-indazol-3-yl)-N-methylacetamide;2-(chloromethyl)oxirane;5-chloro-2-nitrobenzaldehyde;2-[5-chloro-1-(oxiran-2-ylmethyl)indazol-3-yl]-N-methylacetamide;1,2-dibromoethane;ethane;2-(1H-indol-3-yl)-2-oxoacetic acid;methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate
CID 158970629
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
3-[1-[3-(Dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methane;methyl 2-(1-methylindol-3-yl)-2-oxoacetate
CID 159237021
CID 159287921
CID 159287921
3-[1-[3-(Dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;3-[2-[3-(dimethylamino)propyl]indazol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;methyl 2-(1-methylindol-3-yl)-2-oxoacetate
CID 159311513

Frequently Asked Questions

What is the IUPAC name of potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?
The IUPAC name of potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane (CID 162267659) is potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane.
What is the SMILES notation for potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?
The canonical SMILES for potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane is BrCCBr.C.C1CCOC1.C=Cn1cc(C2=C(c3nn(CCCN(C)C)c4ccccc34)C(=O)NC2=O)c2cc(Cl)ccc21.CC(C)(C)[O-].CCCCN(C)C.CN(C)CCCCl.COC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12.COC(=O)C(=O)c1cn(CCBr)c2ccccc12.Clc1ccc2[nH]ccc2c1.NC(=O)Cc1[nH]nc2ccccc12.NC(=O)Cc1[nH]nc2ccccc12.[K+].
What is the InChIKey of potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?
The InChIKey is IXOWROKPYGVEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2.C13H12BrNO3.C11H8ClNO3.2C9H9N3O.C8H6ClN.C6H15N.C5H12ClN.C4H8O.C4H9O.C2H4Br2.CH4.K/c1-4-31-15-19(18-14-16(27)10-11-20(18)31)22-23(26(34)28-25(22)33)24-17-8-5-6-9-21(17)32(29-24)13-7-12-30(2)3;1-18-13(17)12(16)10-8-15(7-6-14)11-5-3-2-4-9(10)11;1-16-11(15)10(14)8-5-13-9-3-2-6(12)4-7(8)9;2*10-9(13)5-8-6-3-1-2-4-7(6)11-12-8;9-7-1-2-8-6(5-7)3-4-10-8;1-4-5-6-7(2)3;1-7(2)5-3-4-6;1-2-4-5-3-1;1-4(2,3)5;3-1-2-4;;/h4-6,8-11,14-15H,1,7,12-13H2,2-3H3,(H,28,33,34);2-5,8H,6-7H2,1H3;2-5,13H,1H3;2*1-4H,5H2,(H2,10,13)(H,11,12);1-5,10H;4-6H2,1-3H3;3-5H2,1-2H3;1-4H2;1-3H3;1-2H2;1H4;/q;;;;;;;;;-1;;;+1.
What are the key properties of potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?
potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane has a molecular weight of 2134.76 g/mol, XLogP of 15.72, 24 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-chloro-N,N-dimethylpropan-1-amine;3-(5-chloro-1-ethenylindol-3-yl)-4-[1-[3-(dimethylamino)propyl]indazol-3-yl]pyrrole-2,5-dione;5-chloro-1H-indole;1,2-dibromoethane;N,N-dimethylbutan-1-amine;bis(2-(2H-indazol-3-yl)acetamide);methane;methyl 2-[1-(2-bromoethyl)indol-3-yl]-2-oxoacetate;methyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane is sourced from PubChem (CID 162267659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).