1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide

C59H69I9N13O11V — CID 162055168

IUPAC1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide
SMILESC.CI.CI.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.I.I[V](I)I.O=C(O)c1n[nH]c2ccccc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12
InChIInChI=1S/C15H18IN3O3.C13H13IN2O2.C10H10IN3O2.C10H11N3O2.C8H6N2O2.2CH3I.CH4.4HI.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;1-14(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;11-8(12)7-5-3-1-2-4-6(5)9-10-7;2*1-2;;;;;;/h6-7,9,13H,3-5,8H2,1-2H3;4-5,7-8,13H,1-3,6H2;3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);2*1H3;1H4;4*1H;/q;;;;;;;;;;;;+3/p-3
InChIKeyBAJCBZGHGYABNU-UHFFFAOYSA-K
MW2329.36 g/mol
LogP16.40
Rot. Bonds10

About 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide

1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide (PubChem CID 162055168) has the molecular formula C59H69I9N13O11V and a molecular weight of 2329.36 g/mol. Its IUPAC name is 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide.

Molecular Properties

Compound Name1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide
PubChem CID162055168
Molecular FormulaC59H69I9N13O11V
Molecular Weight2329.36 g/mol
Exact Mass2328.61
IUPAC Name1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide
SMILESC.CI.CI.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.I.I[V](I)I.O=C(O)c1n[nH]c2ccccc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12
InChIInChI=1S/C15H18IN3O3.C13H13IN2O2.C10H10IN3O2.C10H11N3O2.C8H6N2O2.2CH3I.CH4.4HI.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;1-14(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;11-8(12)7-5-3-1-2-4-6(5)9-10-7;2*1-2;;;;;;/h6-7,9,13H,3-5,8H2,1-2H3;4-5,7-8,13H,1-3,6H2;3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);2*1H3;1H4;4*1H;/q;;;;;;;;;;;;+3/p-3
InChIKeyBAJCBZGHGYABNU-UHFFFAOYSA-K
XLogP16.40
TPSA283.13 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002329.36
LogP ≤ 516.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(3-formylindazol-1-yl)acetate;2H-indazole-3-carbaldehyde;methyl (2S)-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate;methyl (E)-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-3-yl]-2-(phenylmethoxycarbonylamino)prop-2-enoate;(2S)-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 158052167
1,2-diiodo-2-methylpropane;N,5-dipyridin-3-yl-1H-indazole-3-carboxamide;iodoethane;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-N,5-dipyridin-3-ylindazole-3-carboxamide;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carbaldehyde;1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid;pyridin-3-amine;pyridin-3-ylboronic acid;1,1,2-triiodo-2-methylpropane;bis(vanadium)
CID 158995778
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1H-indazole-3-carboxylic acid;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate
CID 160520679
5-bromo-1H-indazole-3-carboxylic acid;5-bromo-1-(oxan-2-yl)indazole-3-carboxylic acid;1,2-diiodo-2-methylpropane;1H-indazole-3-carboxylic acid;2-iodo-2-methanidylpropane;2-iodo-2-methylpropane;methyl 5-bromo-1H-indazole-3-carboxylate;methyl 5-bromo-1-(oxan-2-yl)indazole-3-carboxylate;2-methylpropane;1,1,2-triiodo-2-methylpropane;bis(vanadium)
CID 160534318
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;1-bromoethylbenzene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indazole-3-carboxamide;1H-indazole-3-carboxylic acid;methyl 1H-indazole-3-carboxylate;methyl 1-(1-phenylethyl)indazole-3-carboxylate;methyl 2-(1-phenylethyl)indazole-3-carboxylate;1-(1-phenylethyl)indazole-3-carboxylic acid
CID 160961957
ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 161067115
1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide
CID 161623926
5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 162097889
sodium;2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethanol;[1-[2-[1-(2,3-dimethylphenyl)piperidin-4-yl]ethyl]indazol-3-yl]-pyrrolidin-1-ylmethanone;1-(2,3-dimethylphenyl)-4-propylpiperidine;hydride;1H-indazole-3-carboxylic acid;bis(1H-indazol-3-yl(pyrrolidin-1-yl)methanone);1-iodo-2,3-dimethylbenzene;methyl 1H-indazole-3-carboxylate;2-piperidin-4-ylethanol;thionyl dichloride
CID 163827046

Frequently Asked Questions

What is the IUPAC name of 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide?
The IUPAC name of 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide (CID 162055168) is 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide.
What is the SMILES notation for 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide?
The canonical SMILES for 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide is C.CI.CI.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.I.I[V](I)I.O=C(O)c1n[nH]c2ccccc12.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.
What is the InChIKey of 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide?
The InChIKey is BAJCBZGHGYABNU-UHFFFAOYSA-K. The full InChI is InChI=1S/C15H18IN3O3.C13H13IN2O2.C10H10IN3O2.C10H11N3O2.C8H6N2O2.2CH3I.CH4.4HI.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;1-14(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;11-8(12)7-5-3-1-2-4-6(5)9-10-7;2*1-2;;;;;;/h6-7,9,13H,3-5,8H2,1-2H3;4-5,7-8,13H,1-3,6H2;3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);2*1H3;1H4;4*1H;/q;;;;;;;;;;;;+3/p-3.
What are the key properties of 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide?
1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide has a molecular weight of 2329.36 g/mol, XLogP of 16.40, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole-3-carboxylic acid;iodomethane;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;triiodovanadium;hydroiodide is sourced from PubChem (CID 162055168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).