dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride

C71H100Cl2F2FeK2N20O9 — CID 158350467

IUPACdipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride
SMILESC.C.CN(C)CCCc1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)CCN.CN(C)CCNc1ccc(N)cc1.CN(C)CCNc1ccc([N+](=O)[O-])cc1.Cl.N.NC(=O)c1cn(-c2ccnc(Cl)n2)c2ccccc12.O=CO[O-].O=[N+]([O-])c1ccc(F)cc1.[2H]CF.[Fe].[H-].[K+].[K+]
InChIInChI=1S/C24H26N6O.C13H9ClN4O.C10H15N3O2.C10H17N3.C6H4FNO2.C4H12N2.CH3F.CH2O3.2CH4.ClH.Fe.2K.H3N.H/c1-29(2)15-5-6-17-9-11-18(12-10-17)27-24-26-14-13-22(28-24)30-16-20(23(25)31)19-7-3-4-8-21(19)30;14-13-16-6-5-11(17-13)18-7-9(12(15)19)8-3-1-2-4-10(8)18;1-12(2)8-7-11-9-3-5-10(6-4-9)13(14)15;1-13(2)8-7-12-10-5-3-9(11)4-6-10;7-5-1-3-6(4-2-5)8(9)10;1-6(2)4-3-5;1-2;2-1-4-3;;;;;;;;/h3-4,7-14,16H,5-6,15H2,1-2H3,(H2,25,31)(H,26,27,28);1-7H,(H2,15,19);3-6,11H,7-8H2,1-2H3;3-6,12H,7-8,11H2,1-2H3;1-4H;3-5H2,1-2H3;1H3;1,3H;2*1H4;1H;;;;1H3;/q;;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;1D;;;;;;;;;
InChIKeyAGROYIUXRWWWQA-AMPJDVCNSA-M
MW1621.66 g/mol
LogP4.98
Rot. Bonds23

About dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride

dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride (PubChem CID 158350467) has the molecular formula C71H100Cl2F2FeK2N20O9 and a molecular weight of 1621.66 g/mol. Its IUPAC name is dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride.

Molecular Properties

Compound Namedipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride
PubChem CID158350467
Molecular FormulaC71H100Cl2F2FeK2N20O9
Molecular Weight1621.66 g/mol
Exact Mass1619.60
IUPAC Namedipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride
SMILESC.C.CN(C)CCCc1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)CCN.CN(C)CCNc1ccc(N)cc1.CN(C)CCNc1ccc([N+](=O)[O-])cc1.Cl.N.NC(=O)c1cn(-c2ccnc(Cl)n2)c2ccccc12.O=CO[O-].O=[N+]([O-])c1ccc(F)cc1.[2H]CF.[Fe].[H-].[K+].[K+]
InChIInChI=1S/C24H26N6O.C13H9ClN4O.C10H15N3O2.C10H17N3.C6H4FNO2.C4H12N2.CH3F.CH2O3.2CH4.ClH.Fe.2K.H3N.H/c1-29(2)15-5-6-17-9-11-18(12-10-17)27-24-26-14-13-22(28-24)30-16-20(23(25)31)19-7-3-4-8-21(19)30;14-13-16-6-5-11(17-13)18-7-9(12(15)19)8-3-1-2-4-10(8)18;1-12(2)8-7-11-9-3-5-10(6-4-9)13(14)15;1-13(2)8-7-12-10-5-3-9(11)4-6-10;7-5-1-3-6(4-2-5)8(9)10;1-6(2)4-3-5;1-2;2-1-4-3;;;;;;;;/h3-4,7-14,16H,5-6,15H2,1-2H3,(H2,25,31)(H,26,27,28);1-7H,(H2,15,19);3-6,11H,7-8H2,1-2H3;3-6,12H,7-8,11H2,1-2H3;1-4H;3-5H2,1-2H3;1H3;1,3H;2*1H4;1H;;;;1H3;/q;;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;1D;;;;;;;;;
InChIKeyAGROYIUXRWWWQA-AMPJDVCNSA-M
XLogP4.98
TPSA419.33 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.66
LogP ≤ 54.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride?
The IUPAC name of dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride (CID 158350467) is dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride.
What is the SMILES notation for dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride?
The canonical SMILES for dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride is C.C.CN(C)CCCc1ccc(Nc2nccc(-n3cc(C(N)=O)c4ccccc43)n2)cc1.CN(C)CCN.CN(C)CCNc1ccc(N)cc1.CN(C)CCNc1ccc([N+](=O)[O-])cc1.Cl.N.NC(=O)c1cn(-c2ccnc(Cl)n2)c2ccccc12.O=CO[O-].O=[N+]([O-])c1ccc(F)cc1.[2H]CF.[Fe].[H-].[K+].[K+].
What is the InChIKey of dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride?
The InChIKey is AGROYIUXRWWWQA-AMPJDVCNSA-M. The full InChI is InChI=1S/C24H26N6O.C13H9ClN4O.C10H15N3O2.C10H17N3.C6H4FNO2.C4H12N2.CH3F.CH2O3.2CH4.ClH.Fe.2K.H3N.H/c1-29(2)15-5-6-17-9-11-18(12-10-17)27-24-26-14-13-22(28-24)30-16-20(23(25)31)19-7-3-4-8-21(19)30;14-13-16-6-5-11(17-13)18-7-9(12(15)19)8-3-1-2-4-10(8)18;1-12(2)8-7-11-9-3-5-10(6-4-9)13(14)15;1-13(2)8-7-12-10-5-3-9(11)4-6-10;7-5-1-3-6(4-2-5)8(9)10;1-6(2)4-3-5;1-2;2-1-4-3;;;;;;;;/h3-4,7-14,16H,5-6,15H2,1-2H3,(H2,25,31)(H,26,27,28);1-7H,(H2,15,19);3-6,11H,7-8H2,1-2H3;3-6,12H,7-8,11H2,1-2H3;1-4H;3-5H2,1-2H3;1H3;1,3H;2*1H4;1H;;;;1H3;/q;;;;;;;;;;;;2*+1;;-1/p-1/i;;;;;;1D;;;;;;;;;.
What are the key properties of dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride?
dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride has a molecular weight of 1621.66 g/mol, XLogP of 4.98, 23 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;azane;1-(2-chloropyrimidin-4-yl)indole-3-carboxamide;deuterio(fluoro)methane;4-N-[2-(dimethylamino)ethyl]benzene-1,4-diamine;1-[2-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;N',N'-dimethylethane-1,2-diamine;N',N'-dimethyl-N-(4-nitrophenyl)ethane-1,2-diamine;1-fluoro-4-nitrobenzene;hydride;iron;methane;oxido formate;hydrochloride is sourced from PubChem (CID 158350467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).