2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)

C161H198B3BrI10N32O23V2-2 — CID 159488627

IUPAC2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)
SMILESCC(C)(I)I.CC(I)(I)CI.CC(I)I.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CN(C)C(=O)Cc1cncc(Br)c1.CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C(=O)Nc2cccnc2)nn3C2CCCCO2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C(=O)O)nn3C2CCCCO2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1.C[C-](C)I.C[C-](C)I.Nc1cccnc1.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[V].[V]
InChIInChI=1S/C26H27N7O3.C21H19N7O2.C21H23N5O4.C21H23N5O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C9H11BrN2O.C5H6N2.C3H5I3.C3H6I2.2C3H6I.C2H4I2.2V/c1-32(2)26(35)30-20-12-18(14-28-16-20)17-8-9-22-21(13-17)24(25(34)29-19-6-5-10-27-15-19)31-33(22)23-7-3-4-11-36-23;1-28(2)21(30)25-16-8-14(10-23-12-16)13-5-6-18-17(9-13)19(27-26-18)20(29)24-15-4-3-7-22-11-15;1-25(2)21(29)23-15-9-14(11-22-12-15)13-6-7-17-16(10-13)19(20(27)28)24-26(17)18-5-3-4-8-30-18;1-25(2)21(28)23-16-9-15(11-22-12-16)14-6-7-19-17(10-14)18(13-27)24-26(19)20-5-3-4-8-29-20;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12(2)9(13)4-7-3-8(10)6-11-5-7;6-5-2-1-3-7-4-5;1-3(5,6)2-4;1-3(2,4)5;2*1-3(2)4;1-2(3)4;;/h5-6,8-10,12-16,23H,3-4,7,11H2,1-2H3,(H,29,34)(H,30,35);3-12H,1-2H3,(H,24,29)(H,25,30)(H,26,27);6-7,9-12,18H,3-5,8H2,1-2H3,(H,23,29)(H,27,28);6-7,9-13,20H,3-5,8H2,1-2H3,(H,23,28);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;3,5-6H,4H2,1-2H3;1-4H,6H2;2H2,1H3;1-2H3;2*1-2H3;2H,1H3;;/q;;;;;;;;;;;2*-1;;;
InChIKeyDFRVKAZQRLDDFP-UHFFFAOYSA-N
MW4432.82 g/mol
LogP37.37
Rot. Bonds26

About 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)

2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium) (PubChem CID 159488627) has the molecular formula C161H198B3BrI10N32O23V2-2 and a molecular weight of 4432.82 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium).

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)
PubChem CID159488627
Molecular FormulaC161H198B3BrI10N32O23V2-2
Molecular Weight4432.82 g/mol
Exact Mass4430.41
IUPAC Name2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)
SMILESCC(C)(I)I.CC(I)(I)CI.CC(I)I.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CN(C)C(=O)Cc1cncc(Br)c1.CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C(=O)Nc2cccnc2)nn3C2CCCCO2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C(=O)O)nn3C2CCCCO2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1.C[C-](C)I.C[C-](C)I.Nc1cccnc1.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[V].[V]
InChIInChI=1S/C26H27N7O3.C21H19N7O2.C21H23N5O4.C21H23N5O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C9H11BrN2O.C5H6N2.C3H5I3.C3H6I2.2C3H6I.C2H4I2.2V/c1-32(2)26(35)30-20-12-18(14-28-16-20)17-8-9-22-21(13-17)24(25(34)29-19-6-5-10-27-15-19)31-33(22)23-7-3-4-11-36-23;1-28(2)21(30)25-16-8-14(10-23-12-16)13-5-6-18-17(9-13)19(27-26-18)20(29)24-15-4-3-7-22-11-15;1-25(2)21(29)23-15-9-14(11-22-12-15)13-6-7-17-16(10-13)19(20(27)28)24-26(17)18-5-3-4-8-30-18;1-25(2)21(28)23-16-9-15(11-22-12-16)14-6-7-19-17(10-14)18(13-27)24-26(19)20-5-3-4-8-29-20;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12(2)9(13)4-7-3-8(10)6-11-5-7;6-5-2-1-3-7-4-5;1-3(5,6)2-4;1-3(2,4)5;2*1-3(2)4;1-2(3)4;;/h5-6,8-10,12-16,23H,3-4,7,11H2,1-2H3,(H,29,34)(H,30,35);3-12H,1-2H3,(H,24,29)(H,25,30)(H,26,27);6-7,9-12,18H,3-5,8H2,1-2H3,(H,23,29)(H,27,28);6-7,9-13,20H,3-5,8H2,1-2H3,(H,23,28);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;3,5-6H,4H2,1-2H3;1-4H,6H2;2H2,1H3;1-2H3;2*1-2H3;2H,1H3;;/q;;;;;;;;;;;2*-1;;;
InChIKeyDFRVKAZQRLDDFP-UHFFFAOYSA-N
XLogP37.37
TPSA644.83 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds26
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004432.82
LogP ≤ 537.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium) (CID 159488627) is 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium).
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium) is CC(C)(I)I.CC(I)(I)CI.CC(I)I.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CN(C)C(=O)Cc1cncc(Br)c1.CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccnc4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C(=O)Nc2cccnc2)nn3C2CCCCO2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C(=O)O)nn3C2CCCCO2)c1.CN(C)C(=O)Nc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1.C[C-](C)I.C[C-](C)I.Nc1cccnc1.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[V].[V].
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)?
The InChIKey is DFRVKAZQRLDDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3.C21H19N7O2.C21H23N5O4.C21H23N5O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C9H11BrN2O.C5H6N2.C3H5I3.C3H6I2.2C3H6I.C2H4I2.2V/c1-32(2)26(35)30-20-12-18(14-28-16-20)17-8-9-22-21(13-17)24(25(34)29-19-6-5-10-27-15-19)31-33(22)23-7-3-4-11-36-23;1-28(2)21(30)25-16-8-14(10-23-12-16)13-5-6-18-17(9-13)19(27-26-18)20(29)24-15-4-3-7-22-11-15;1-25(2)21(29)23-15-9-14(11-22-12-15)13-6-7-17-16(10-13)19(20(27)28)24-26(17)18-5-3-4-8-30-18;1-25(2)21(28)23-16-9-15(11-22-12-16)14-6-7-19-17(10-14)18(13-27)24-26(19)20-5-3-4-8-29-20;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-12(2)9(13)4-7-3-8(10)6-11-5-7;6-5-2-1-3-7-4-5;1-3(5,6)2-4;1-3(2,4)5;2*1-3(2)4;1-2(3)4;;/h5-6,8-10,12-16,23H,3-4,7,11H2,1-2H3,(H,29,34)(H,30,35);3-12H,1-2H3,(H,24,29)(H,25,30)(H,26,27);6-7,9-12,18H,3-5,8H2,1-2H3,(H,23,29)(H,27,28);6-7,9-13,20H,3-5,8H2,1-2H3,(H,23,28);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;3,5-6H,4H2,1-2H3;1-4H,6H2;2H2,1H3;1-2H3;2*1-2H3;2H,1H3;;/q;;;;;;;;;;;2*-1;;;.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium)?
2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium) has a molecular weight of 4432.82 g/mol, XLogP of 37.37, 26 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N,N-dimethylacetamide;1,1-diiodoethane;2,2-diiodopropane;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carboxylic acid;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1-(oxan-2-yl)-N-pyridin-3-ylindazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide;3-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-1,1-dimethylurea;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;bis(2-iodopropane);1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;pyridin-3-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,2,2-triiodopropane;bis(vanadium) is sourced from PubChem (CID 159488627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).