sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate

C118H123Cl3N23NaO12 — CID 159867043

IUPACsodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate
SMILESC.C.CN(C)CCCCl.CN(C)CCCn1nc(C2=C(c3cn(-c4ccc5ccccc5c4)c4ncccc34)C(=O)NC2=O)c2ccccc21.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2ccc3ccccc3c2)c2ncccc12.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(Cl)C(=O)Cl.O=C(O)Cc1[nH]nc2ccccc12.[H-].[Na+].c1ccc2cc(-n3ccc4cccnc43)ccc2c1.c1cnc2[nH]ccc2c1
InChIInChI=1S/C33H28N6O2.C20H14N2O3.C17H12N2.C14H20N4O.C9H9N3O.C9H8N2O2.C7H6N2.C5H12ClN.C2Cl2O2.2CH4.H3N.Na.H2O.H/c1-37(2)17-8-18-39-27-13-6-5-11-25(27)30(36-39)29-28(32(40)35-33(29)41)26-20-38(31-24(26)12-7-16-34-31)23-15-14-21-9-3-4-10-22(21)19-23;1-25-20(24)18(23)17-12-22(19-16(17)7-4-10-21-19)15-9-8-13-5-2-3-6-14(13)11-15;1-2-5-15-12-16(8-7-13(15)4-1)19-11-9-14-6-3-10-18-17(14)19;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)19;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;1-2-6-3-5-9-7(6)8-4-1;1-7(2)5-3-4-6;3-1(5)2(4)6;;;;;;/h3-7,9-16,19-20H,8,17-18H2,1-2H3,(H,35,40,41);2-12H,1H3;1-12H;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-5H,(H,8,9);3-5H2,1-2H3;;2*1H4;1H3;;1H2;/q;;;;;;;;;;;;+1;;-1
InChIKeyXRGPMNJRDLVONS-UHFFFAOYSA-N
MW2184.78 g/mol
LogP16.54
Rot. Bonds25

About sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate

sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate (PubChem CID 159867043) has the molecular formula C118H123Cl3N23NaO12 and a molecular weight of 2184.78 g/mol. Its IUPAC name is sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate.

Molecular Properties

Compound Namesodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate
PubChem CID159867043
Molecular FormulaC118H123Cl3N23NaO12
Molecular Weight2184.78 g/mol
Exact Mass2181.87
IUPAC Namesodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate
SMILESC.C.CN(C)CCCCl.CN(C)CCCn1nc(C2=C(c3cn(-c4ccc5ccccc5c4)c4ncccc34)C(=O)NC2=O)c2ccccc21.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2ccc3ccccc3c2)c2ncccc12.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(Cl)C(=O)Cl.O=C(O)Cc1[nH]nc2ccccc12.[H-].[Na+].c1ccc2cc(-n3ccc4cccnc43)ccc2c1.c1cnc2[nH]ccc2c1
InChIInChI=1S/C33H28N6O2.C20H14N2O3.C17H12N2.C14H20N4O.C9H9N3O.C9H8N2O2.C7H6N2.C5H12ClN.C2Cl2O2.2CH4.H3N.Na.H2O.H/c1-37(2)17-8-18-39-27-13-6-5-11-25(27)30(36-39)29-28(32(40)35-33(29)41)26-20-38(31-24(26)12-7-16-34-31)23-15-14-21-9-3-4-10-22(21)19-23;1-25-20(24)18(23)17-12-22(19-16(17)7-4-10-21-19)15-9-8-13-5-2-3-6-14(13)11-15;1-2-5-15-12-16(8-7-13(15)4-1)19-11-9-14-6-3-10-18-17(14)19;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)19;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;1-2-6-3-5-9-7(6)8-4-1;1-7(2)5-3-4-6;3-1(5)2(4)6;;;;;;/h3-7,9-16,19-20H,8,17-18H2,1-2H3,(H,35,40,41);2-12H,1H3;1-12H;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-5H,(H,8,9);3-5H2,1-2H3;;2*1H4;1H3;;1H2;/q;;;;;;;;;;;;+1;;-1
InChIKeyXRGPMNJRDLVONS-UHFFFAOYSA-N
XLogP16.54
TPSA498.52 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002184.78
LogP ≤ 516.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate with MolForge

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Related Compounds

4-chloro-2,8-dimethylpyrazolo[3,4-c]quinoline;2,8-dimethyl-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-c]quinoline;2,8-dimethyl-5H-pyrazolo[3,4-c]quinolin-4-one;ethyl 2-chloro-2-oxoacetate;ethyl 2-(5-methyl-1H-indol-3-yl)-2-oxoacetate;methylhydrazine;5-methyl-1H-indole;1-methylpiperazine
CID 158127574
azane;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate
CID 159104617
sodium;azane;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;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate
CID 160916104
sodium;azane;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;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate
CID 161316510

Frequently Asked Questions

What is the IUPAC name of sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate?
The IUPAC name of sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate (CID 159867043) is sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate.
What is the SMILES notation for sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate?
The canonical SMILES for sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate is C.C.CN(C)CCCCl.CN(C)CCCn1nc(C2=C(c3cn(-c4ccc5ccccc5c4)c4ncccc34)C(=O)NC2=O)c2ccccc21.CN(C)CCCn1nc(CC(N)=O)c2ccccc21.COC(=O)C(=O)c1cn(-c2ccc3ccccc3c2)c2ncccc12.N.NC(=O)Cc1[nH]nc2ccccc12.O.O=C(Cl)C(=O)Cl.O=C(O)Cc1[nH]nc2ccccc12.[H-].[Na+].c1ccc2cc(-n3ccc4cccnc43)ccc2c1.c1cnc2[nH]ccc2c1.
What is the InChIKey of sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate?
The InChIKey is XRGPMNJRDLVONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N6O2.C20H14N2O3.C17H12N2.C14H20N4O.C9H9N3O.C9H8N2O2.C7H6N2.C5H12ClN.C2Cl2O2.2CH4.H3N.Na.H2O.H/c1-37(2)17-8-18-39-27-13-6-5-11-25(27)30(36-39)29-28(32(40)35-33(29)41)26-20-38(31-24(26)12-7-16-34-31)23-15-14-21-9-3-4-10-22(21)19-23;1-25-20(24)18(23)17-12-22(19-16(17)7-4-10-21-19)15-9-8-13-5-2-3-6-14(13)11-15;1-2-5-15-12-16(8-7-13(15)4-1)19-11-9-14-6-3-10-18-17(14)19;1-17(2)8-5-9-18-13-7-4-3-6-11(13)12(16-18)10-14(15)19;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;1-2-6-3-5-9-7(6)8-4-1;1-7(2)5-3-4-6;3-1(5)2(4)6;;;;;;/h3-7,9-16,19-20H,8,17-18H2,1-2H3,(H,35,40,41);2-12H,1H3;1-12H;3-4,6-7H,5,8-10H2,1-2H3,(H2,15,19);1-4H,5H2,(H2,10,13)(H,11,12);1-4H,5H2,(H,10,11)(H,12,13);1-5H,(H,8,9);3-5H2,1-2H3;;2*1H4;1H3;;1H2;/q;;;;;;;;;;;;+1;;-1.
What are the key properties of sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate?
sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate has a molecular weight of 2184.78 g/mol, XLogP of 16.54, 25 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;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-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione;hydride;2-(2H-indazol-3-yl)acetamide;2-(2H-indazol-3-yl)acetic acid;methane;methyl 2-(1-naphthalen-2-ylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate;1-naphthalen-2-ylpyrrolo[2,3-b]pyridine;oxalyl dichloride;1H-pyrrolo[2,3-b]pyridine;hydrate is sourced from PubChem (CID 159867043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).