1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium

C133H137BBrF3I4N21O17V- — CID 161013959

IUPAC1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium
SMILESC.C.CC(C)(C)I.CCC(C)(C)I.COC(=O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.COC(=O)c1nn(C2CCCCO2)c2ccc(Br)cc12.C[C-](I)I.Nc1ccc(Oc2ccccc2F)nc1.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.O=C(O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.OB(O)c1cccnc1.[V]
InChIInChI=1S/C29H24FN5O3.C24H16FN5O2.C19H19N3O3.C18H17N3O3.C14H15BrN2O3.C11H9FN2O.C5H6BNO2.C5H11I.C4H9I.C2H3I2.2CH4.V/c30-23-7-1-2-8-25(23)38-26-13-11-21(18-32-26)33-29(36)28-22-16-19(20-6-5-14-31-17-20)10-12-24(22)35(34-28)27-9-3-4-15-37-27;25-19-5-1-2-6-21(19)32-22-10-8-17(14-27-22)28-24(31)23-18-12-15(7-9-20(18)29-30-23)16-4-3-11-26-13-16;1-24-19(23)18-15-11-13(14-5-4-9-20-12-14)7-8-16(15)22(21-18)17-6-2-3-10-25-17;22-18(23)17-14-10-12(13-4-3-8-19-11-13)6-7-15(14)21(20-17)16-5-1-2-9-24-16;1-19-14(18)13-10-8-9(15)5-6-11(10)17(16-13)12-4-2-3-7-20-12;12-9-3-1-2-4-10(9)15-11-6-5-8(13)7-14-11;8-6(9)5-2-1-3-7-4-5;1-4-5(2,3)6;1-4(2,3)5;1-2(3)4;;;/h1-2,5-8,10-14,16-18,27H,3-4,9,15H2,(H,33,36);1-14H,(H,28,31)(H,29,30);4-5,7-9,11-12,17H,2-3,6,10H2,1H3;3-4,6-8,10-11,16H,1-2,5,9H2,(H,22,23);5-6,8,12H,2-4,7H2,1H3;1-7H,13H2;1-4,8-9H;4H2,1-3H3;1-3H3;1H3;2*1H4;/q;;;;;;;;;-1;;;
InChIKeyAOBSEIMPDZMPFY-UHFFFAOYSA-N
MW3007.96 g/mol
LogP31.77
Rot. Bonds23

About 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium

1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium (PubChem CID 161013959) has the molecular formula C133H137BBrF3I4N21O17V- and a molecular weight of 3007.96 g/mol. Its IUPAC name is 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium.

Molecular Properties

Compound Name1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium
PubChem CID161013959
Molecular FormulaC133H137BBrF3I4N21O17V-
Molecular Weight3007.96 g/mol
Exact Mass3005.54
IUPAC Name1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium
SMILESC.C.CC(C)(C)I.CCC(C)(C)I.COC(=O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.COC(=O)c1nn(C2CCCCO2)c2ccc(Br)cc12.C[C-](I)I.Nc1ccc(Oc2ccccc2F)nc1.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.O=C(O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.OB(O)c1cccnc1.[V]
InChIInChI=1S/C29H24FN5O3.C24H16FN5O2.C19H19N3O3.C18H17N3O3.C14H15BrN2O3.C11H9FN2O.C5H6BNO2.C5H11I.C4H9I.C2H3I2.2CH4.V/c30-23-7-1-2-8-25(23)38-26-13-11-21(18-32-26)33-29(36)28-22-16-19(20-6-5-14-31-17-20)10-12-24(22)35(34-28)27-9-3-4-15-37-27;25-19-5-1-2-6-21(19)32-22-10-8-17(14-27-22)28-24(31)23-18-12-15(7-9-20(18)29-30-23)16-4-3-11-26-13-16;1-24-19(23)18-15-11-13(14-5-4-9-20-12-14)7-8-16(15)22(21-18)17-6-2-3-10-25-17;22-18(23)17-14-10-12(13-4-3-8-19-11-13)6-7-15(14)21(20-17)16-5-1-2-9-24-16;1-19-14(18)13-10-8-9(15)5-6-11(10)17(16-13)12-4-2-3-7-20-12;12-9-3-1-2-4-10(9)15-11-6-5-8(13)7-14-11;8-6(9)5-2-1-3-7-4-5;1-4-5(2,3)6;1-4(2,3)5;1-2(3)4;;;/h1-2,5-8,10-14,16-18,27H,3-4,9,15H2,(H,33,36);1-14H,(H,28,31)(H,29,30);4-5,7-9,11-12,17H,2-3,6,10H2,1H3;3-4,6-8,10-11,16H,1-2,5,9H2,(H,22,23);5-6,8,12H,2-4,7H2,1H3;1-7H,13H2;1-4,8-9H;4H2,1-3H3;1-3H3;1H3;2*1H4;/q;;;;;;;;;-1;;;
InChIKeyAOBSEIMPDZMPFY-UHFFFAOYSA-N
XLogP31.77
TPSA482.27 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003007.96
LogP ≤ 531.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', '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 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium?
The IUPAC name of 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium (CID 161013959) is 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium.
What is the SMILES notation for 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium?
The canonical SMILES for 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium is C.C.CC(C)(C)I.CCC(C)(C)I.COC(=O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.COC(=O)c1nn(C2CCCCO2)c2ccc(Br)cc12.C[C-](I)I.Nc1ccc(Oc2ccccc2F)nc1.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.O=C(O)c1nn(C2CCCCO2)c2ccc(-c3cccnc3)cc12.OB(O)c1cccnc1.[V].
What is the InChIKey of 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium?
The InChIKey is AOBSEIMPDZMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN5O3.C24H16FN5O2.C19H19N3O3.C18H17N3O3.C14H15BrN2O3.C11H9FN2O.C5H6BNO2.C5H11I.C4H9I.C2H3I2.2CH4.V/c30-23-7-1-2-8-25(23)38-26-13-11-21(18-32-26)33-29(36)28-22-16-19(20-6-5-14-31-17-20)10-12-24(22)35(34-28)27-9-3-4-15-37-27;25-19-5-1-2-6-21(19)32-22-10-8-17(14-27-22)28-24(31)23-18-12-15(7-9-20(18)29-30-23)16-4-3-11-26-13-16;1-24-19(23)18-15-11-13(14-5-4-9-20-12-14)7-8-16(15)22(21-18)17-6-2-3-10-25-17;22-18(23)17-14-10-12(13-4-3-8-19-11-13)6-7-15(14)21(20-17)16-5-1-2-9-24-16;1-19-14(18)13-10-8-9(15)5-6-11(10)17(16-13)12-4-2-3-7-20-12;12-9-3-1-2-4-10(9)15-11-6-5-8(13)7-14-11;8-6(9)5-2-1-3-7-4-5;1-4-5(2,3)6;1-4(2,3)5;1-2(3)4;;;/h1-2,5-8,10-14,16-18,27H,3-4,9,15H2,(H,33,36);1-14H,(H,28,31)(H,29,30);4-5,7-9,11-12,17H,2-3,6,10H2,1H3;3-4,6-8,10-11,16H,1-2,5,9H2,(H,22,23);5-6,8,12H,2-4,7H2,1H3;1-7H,13H2;1-4,8-9H;4H2,1-3H3;1-3H3;1H3;2*1H4;/q;;;;;;;;;-1;;;.
What are the key properties of 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium?
1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium has a molecular weight of 3007.96 g/mol, XLogP of 31.77, 23 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiodoethane;6-(2-fluorophenoxy)pyridin-3-amine;N-[6-(2-fluorophenoxy)-3-pyridinyl]-1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;2-iodo-2-methylbutane;2-iodo-2-methylpropane;methane;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;methyl 1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylate;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-ylboronic acid;vanadium is sourced from PubChem (CID 161013959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).