[acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium

C78H80F3I8N16O16V- — CID 159330934

IUPAC[acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium
SMILESCC(=O)OI(OC(=O)C(F)(F)F)c1ccccc1.CC(I)(I)I.CON(C)C(=O)c1n[nH]c2ccc(I)cc12.CON(C)C(=O)c1n[nH]c2ccccc12.CON(C)C(=O)c1nn(C2CCCCO2)c2ccc(I)cc12.C[CH-]I.O=C(C1=NC=CC1)c1ncc[nH]1.O=C(O)c1n[nH]c2ccccc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[V]
InChIInChI=1S/C15H18IN3O3.C13H13IN2O2.C10H8F3IO4.C10H10IN3O2.C10H11N3O2.C8H7N3O.C8H6N2O2.C2H3I3.C2H4I.V/c1-18(21-2)15(20)14-11-9-10(16)6-7-12(11)19(17-14)13-5-3-4-8-22-13;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-7(15)17-14(8-5-3-2-4-6-8)18-9(16)10(11,12)13;1-14(16-2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;12-7(6-2-1-3-9-6)8-10-4-5-11-8;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-2(3,4)5;1-2-3;/h6-7,9,13H,3-5,8H2,1-2H3;4-5,7-8,13H,1-3,6H2;2-6H,1H3;3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1,3-5H,2H2,(H,10,11);1-4H,(H,9,10)(H,11,12);1H3;2H,1H3;/q;;;;;;;;-1;
InChIKeyUPLIQULKPBUQCH-UHFFFAOYSA-N
MW2620.76 g/mol
LogP18.76
Rot. Bonds15

About [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium

[acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium (PubChem CID 159330934) has the molecular formula C78H80F3I8N16O16V- and a molecular weight of 2620.76 g/mol. Its IUPAC name is [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium.

Molecular Properties

Compound Name[acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium
PubChem CID159330934
Molecular FormulaC78H80F3I8N16O16V-
Molecular Weight2620.76 g/mol
Exact Mass2619.77
IUPAC Name[acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium
SMILESCC(=O)OI(OC(=O)C(F)(F)F)c1ccccc1.CC(I)(I)I.CON(C)C(=O)c1n[nH]c2ccc(I)cc12.CON(C)C(=O)c1n[nH]c2ccccc12.CON(C)C(=O)c1nn(C2CCCCO2)c2ccc(I)cc12.C[CH-]I.O=C(C1=NC=CC1)c1ncc[nH]1.O=C(O)c1n[nH]c2ccccc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[V]
InChIInChI=1S/C15H18IN3O3.C13H13IN2O2.C10H8F3IO4.C10H10IN3O2.C10H11N3O2.C8H7N3O.C8H6N2O2.C2H3I3.C2H4I.V/c1-18(21-2)15(20)14-11-9-10(16)6-7-12(11)19(17-14)13-5-3-4-8-22-13;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-7(15)17-14(8-5-3-2-4-6-8)18-9(16)10(11,12)13;1-14(16-2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;12-7(6-2-1-3-9-6)8-10-4-5-11-8;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-2(3,4)5;1-2-3;/h6-7,9,13H,3-5,8H2,1-2H3;4-5,7-8,13H,1-3,6H2;2-6H,1H3;3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1,3-5H,2H2,(H,10,11);1-4H,(H,9,10)(H,11,12);1H3;2H,1H3;/q;;;;;;;;-1;
InChIKeyUPLIQULKPBUQCH-UHFFFAOYSA-N
XLogP18.76
TPSA393.84 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002620.76
LogP ≤ 518.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium with MolForge

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Related Compounds

[acetyloxy(phenyl)-lambda3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane
CID 158328689
[acetyloxy(phenyl)-lambda3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane
CID 158847373
acetic acid;azane;tert-butyl N-ethyl-N-[[5-[3-[5-(ethylcarbamoyl)-4-phenyl-1H-imidazol-2-yl]-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;N-ethyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxamide;2-[5-[5-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazol-3-yl]-4-phenyl-1H-imidazole-5-carboxylic acid;3,3,3-trifluoro-1-phenylpropane-1,2-dione
CID 160941564

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium?
The IUPAC name of [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium (CID 159330934) is [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium.
What is the SMILES notation for [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium?
The canonical SMILES for [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium is CC(=O)OI(OC(=O)C(F)(F)F)c1ccccc1.CC(I)(I)I.CON(C)C(=O)c1n[nH]c2ccc(I)cc12.CON(C)C(=O)c1n[nH]c2ccccc12.CON(C)C(=O)c1nn(C2CCCCO2)c2ccc(I)cc12.C[CH-]I.O=C(C1=NC=CC1)c1ncc[nH]1.O=C(O)c1n[nH]c2ccccc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[V].
What is the InChIKey of [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium?
The InChIKey is UPLIQULKPBUQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O3.C13H13IN2O2.C10H8F3IO4.C10H10IN3O2.C10H11N3O2.C8H7N3O.C8H6N2O2.C2H3I3.C2H4I.V/c1-18(21-2)15(20)14-11-9-10(16)6-7-12(11)19(17-14)13-5-3-4-8-22-13;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-7(15)17-14(8-5-3-2-4-6-8)18-9(16)10(11,12)13;1-14(16-2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;12-7(6-2-1-3-9-6)8-10-4-5-11-8;11-8(12)7-5-3-1-2-4-6(5)9-10-7;1-2(3,4)5;1-2-3;/h6-7,9,13H,3-5,8H2,1-2H3;4-5,7-8,13H,1-3,6H2;2-6H,1H3;3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1,3-5H,2H2,(H,10,11);1-4H,(H,9,10)(H,11,12);1H3;2H,1H3;/q;;;;;;;;-1;.
What are the key properties of [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium?
[acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium has a molecular weight of 2620.76 g/mol, XLogP of 18.76, 15 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(phenyl)-λ3-iodanyl] 2,2,2-trifluoroacetate;1H-imidazol-2-yl(3H-pyrrol-2-yl)methanone;1H-indazole-3-carboxylic acid;iodoethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;N-methoxy-N-methyl-1H-indazole-3-carboxamide;1,1,1-triiodoethane;vanadium is sourced from PubChem (CID 159330934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).