carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)

C71H109I7N16O8V3-3 — CID 159165316

IUPACcarbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)
SMILESC.CC(I)(I)I.CN1CCC(N)CC1.CN1CCNCC1.COC(=O)c1ccc2c(c1)c(C)nn2C.COC(=O)c1ccc2c(c1)c(N1CCN(C)CC1)nn2C.COC(=O)c1ccc2c(c1)c(NC1CCN(C)CC1)nn2C.COC(=O)c1ccc2n[nH]c(C)c2c1.C[CH-]I.I[V](I)I.[CH2-]C.[CH3-].[V].[V]
InChIInChI=1S/C16H22N4O2.C15H20N4O2.C11H12N2O2.C10H10N2O2.C6H14N2.C5H12N2.C2H3I3.C2H4I.C2H5.CH4.CH3.3HI.3V/c1-19-8-6-12(7-9-19)17-15-13-10-11(16(21)22-3)4-5-14(13)20(2)18-15;1-17-6-8-19(9-7-17)14-12-10-11(15(20)21-3)4-5-13(12)18(2)16-14;1-7-9-6-8(11(14)15-3)4-5-10(9)13(2)12-7;1-6-8-5-7(10(13)14-2)3-4-9(8)12-11-6;1-8-4-2-6(7)3-5-8;1-7-4-2-6-3-5-7;1-2(3,4)5;1-2-3;1-2;;;;;;;;/h4-5,10,12H,6-9H2,1-3H3,(H,17,18);4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3,(H,11,12);6H,2-5,7H2,1H3;6H,2-5H2,1H3;1H3;2H,1H3;1H2,2H3;1H4;1H3;3*1H;;;/q;;;;;;;2*-1;;-1;;;;;;+3/p-3
InChIKeyVJEKJQWNJOPJBO-UHFFFAOYSA-K
MW2355.92 g/mol
LogP15.01
Rot. Bonds7

About carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)

carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium) (PubChem CID 159165316) has the molecular formula C71H109I7N16O8V3-3 and a molecular weight of 2355.92 g/mol. Its IUPAC name is carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium).

Molecular Properties

Compound Namecarbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)
PubChem CID159165316
Molecular FormulaC71H109I7N16O8V3-3
Molecular Weight2355.92 g/mol
Exact Mass2355.03
IUPAC Namecarbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)
SMILESC.CC(I)(I)I.CN1CCC(N)CC1.CN1CCNCC1.COC(=O)c1ccc2c(c1)c(C)nn2C.COC(=O)c1ccc2c(c1)c(N1CCN(C)CC1)nn2C.COC(=O)c1ccc2c(c1)c(NC1CCN(C)CC1)nn2C.COC(=O)c1ccc2n[nH]c(C)c2c1.C[CH-]I.I[V](I)I.[CH2-]C.[CH3-].[V].[V]
InChIInChI=1S/C16H22N4O2.C15H20N4O2.C11H12N2O2.C10H10N2O2.C6H14N2.C5H12N2.C2H3I3.C2H4I.C2H5.CH4.CH3.3HI.3V/c1-19-8-6-12(7-9-19)17-15-13-10-11(16(21)22-3)4-5-14(13)20(2)18-15;1-17-6-8-19(9-7-17)14-12-10-11(15(20)21-3)4-5-13(12)18(2)16-14;1-7-9-6-8(11(14)15-3)4-5-10(9)13(2)12-7;1-6-8-5-7(10(13)14-2)3-4-9(8)12-11-6;1-8-4-2-6(7)3-5-8;1-7-4-2-6-3-5-7;1-2(3,4)5;1-2-3;1-2;;;;;;;;/h4-5,10,12H,6-9H2,1-3H3,(H,17,18);4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3,(H,11,12);6H,2-5,7H2,1H3;6H,2-5H2,1H3;1H3;2H,1H3;1H2,2H3;1H4;1H3;3*1H;;;/q;;;;;;;2*-1;;-1;;;;;;+3/p-3
InChIKeyVJEKJQWNJOPJBO-UHFFFAOYSA-K
XLogP15.01
TPSA253.62 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds7
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002355.92
LogP ≤ 515.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium) with MolForge

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Related Compounds

lithium;3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate;3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-5-carboxamide;4-phenylaniline
CID 157370522
[4-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperazin-1-yl]-[3-(1-anilinoethenyl)-1H-indazol-5-yl]methanone;(3-amino-1H-indazol-5-yl)-piperidin-1-ylmethanone;methyl 3-(1-phenylethenylamino)-1H-indazole-5-carboxylate;3-(1-phenylethenylamino)-1H-indazole-5-carboxylic acid;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 159448025
carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)methyl]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;bis(triiodovanadium);bis(vanadium)
CID 160276315

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)?
The IUPAC name of carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium) (CID 159165316) is carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium).
What is the SMILES notation for carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)?
The canonical SMILES for carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium) is C.CC(I)(I)I.CN1CCC(N)CC1.CN1CCNCC1.COC(=O)c1ccc2c(c1)c(C)nn2C.COC(=O)c1ccc2c(c1)c(N1CCN(C)CC1)nn2C.COC(=O)c1ccc2c(c1)c(NC1CCN(C)CC1)nn2C.COC(=O)c1ccc2n[nH]c(C)c2c1.C[CH-]I.I[V](I)I.[CH2-]C.[CH3-].[V].[V].
What is the InChIKey of carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)?
The InChIKey is VJEKJQWNJOPJBO-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H22N4O2.C15H20N4O2.C11H12N2O2.C10H10N2O2.C6H14N2.C5H12N2.C2H3I3.C2H4I.C2H5.CH4.CH3.3HI.3V/c1-19-8-6-12(7-9-19)17-15-13-10-11(16(21)22-3)4-5-14(13)20(2)18-15;1-17-6-8-19(9-7-17)14-12-10-11(15(20)21-3)4-5-13(12)18(2)16-14;1-7-9-6-8(11(14)15-3)4-5-10(9)13(2)12-7;1-6-8-5-7(10(13)14-2)3-4-9(8)12-11-6;1-8-4-2-6(7)3-5-8;1-7-4-2-6-3-5-7;1-2(3,4)5;1-2-3;1-2;;;;;;;;/h4-5,10,12H,6-9H2,1-3H3,(H,17,18);4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3,(H,11,12);6H,2-5,7H2,1H3;6H,2-5H2,1H3;1H3;2H,1H3;1H2,2H3;1H4;1H3;3*1H;;;/q;;;;;;;2*-1;;-1;;;;;;+3/p-3.
What are the key properties of carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium)?
carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium) has a molecular weight of 2355.92 g/mol, XLogP of 15.01, 7 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;iodoethane;methane;methyl 1,3-dimethylindazole-5-carboxylate;methyl 3-methyl-2H-indazole-5-carboxylate;methyl 1-methyl-3-(4-methylpiperazin-1-yl)indazole-5-carboxylate;methyl 1-methyl-3-[(1-methylpiperidin-4-yl)amino]indazole-5-carboxylate;1-methylpiperazine;1-methylpiperidin-4-amine;1,1,1-triiodoethane;triiodovanadium;bis(vanadium) is sourced from PubChem (CID 159165316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).