acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide

C55H73I2N11O5V — CID 159668048

IUPACacetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide
SMILESCC.CC.CC.CC.CC(=O)O.CI.COCCc1ccccc1.I.N.O=C(C(=O)c1ccccn1)c1ccc2ncnn2c1.[V].c1ccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C22H18N6.C13H8N4O2.C9H12O.C2H4O2.4C2H6.CH3I.HI.H3N.V/c1-2-6-16(7-3-1)9-11-19-26-21(22(27-19)18-8-4-5-13-23-18)17-10-12-20-24-15-25-28(20)14-17;18-12(13(19)10-3-1-2-6-14-10)9-4-5-11-15-8-16-17(11)7-9;1-10-8-7-9-5-3-2-4-6-9;1-2(3)4;5*1-2;;;/h1-8,10,12-15H,9,11H2,(H,26,27);1-8H;2-6H,7-8H2,1H3;1H3,(H,3,4);4*1-2H3;1H3;1H;1H3;
InChIKeyXINJNVOLVAXXSL-UHFFFAOYSA-N
MW1273.01 g/mol
LogP13.06
Rot. Bonds11

About acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide

acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide (PubChem CID 159668048) has the molecular formula C55H73I2N11O5V and a molecular weight of 1273.01 g/mol. Its IUPAC name is acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide.

Molecular Properties

Compound Nameacetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide
PubChem CID159668048
Molecular FormulaC55H73I2N11O5V
Molecular Weight1273.01 g/mol
Exact Mass1272.33
IUPAC Nameacetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide
SMILESCC.CC.CC.CC.CC(=O)O.CI.COCCc1ccccc1.I.N.O=C(C(=O)c1ccccn1)c1ccc2ncnn2c1.[V].c1ccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccccn3)[nH]2)cc1
InChIInChI=1S/C22H18N6.C13H8N4O2.C9H12O.C2H4O2.4C2H6.CH3I.HI.H3N.V/c1-2-6-16(7-3-1)9-11-19-26-21(22(27-19)18-8-4-5-13-23-18)17-10-12-20-24-15-25-28(20)14-17;18-12(13(19)10-3-1-2-6-14-10)9-4-5-11-15-8-16-17(11)7-9;1-10-8-7-9-5-3-2-4-6-9;1-2(3)4;5*1-2;;;/h1-8,10,12-15H,9,11H2,(H,26,27);1-8H;2-6H,7-8H2,1H3;1H3,(H,3,4);4*1-2H3;1H3;1H;1H3;
InChIKeyXINJNVOLVAXXSL-UHFFFAOYSA-N
XLogP13.06
TPSA230.51 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.01
LogP ≤ 513.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide with MolForge

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Related Compounds

methyl 3-[[5-(6-methyl-2-pyridinyl)-4-[2-[2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methylamino]benzoate
CID 132035360
Diiodovanadium;4-[4-[6,8-di(propan-2-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid;methyl 4-[4-[6,8-di(propan-2-yl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]cyclohexane-1-carboxylate
CID 157775670
1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde
CID 158244825
2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]-2-pyridinyl]acetic acid;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-pyridinyl]acetate;methane
CID 158314447
4-Iodopent-2-yne;methyl 2-oxo-2-phenylacetate;4-methyl-11-phenyl-2,3,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10-pentaen-12-one;2-methylpyrazolo[1,5-a]pyrimidine-6,7-diamine;pent-2-yne
CID 158554469
acetic acid;azane;ethane;iodomethane;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;3-phenylpropan-1-ol;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide
CID 159734625
tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 4-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]piperidine-1-carboxylate;1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione
CID 160859340
2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(5-methyl-1H-imidazol-2-yl)-2-oxoethyl]-2-pyridinyl]acetic acid;2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-pyridinyl]acetic acid;ethyl 2-[6-(4,4-dimethylcyclohexen-1-yl)-5-[2-(4-methyl-1H-pyrrol-2-yl)-2-oxoethyl]-2-pyridinyl]acetate
CID 161302320
Lithium;2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[6-[3-(aminomethyl)phenyl]imidazo[1,2-b]pyridazine-8-carbonyl]amino]phenyl]acetate;hydroxide
CID 161449618
3-[4-(methoxymethyl)cyclohexyl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;(2-methylphenyl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 161535195

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide?
The IUPAC name of acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide (CID 159668048) is acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide.
What is the SMILES notation for acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide?
The canonical SMILES for acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide is CC.CC.CC.CC.CC(=O)O.CI.COCCc1ccccc1.I.N.O=C(C(=O)c1ccccn1)c1ccc2ncnn2c1.[V].c1ccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccccn3)[nH]2)cc1.
What is the InChIKey of acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide?
The InChIKey is XINJNVOLVAXXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6.C13H8N4O2.C9H12O.C2H4O2.4C2H6.CH3I.HI.H3N.V/c1-2-6-16(7-3-1)9-11-19-26-21(22(27-19)18-8-4-5-13-23-18)17-10-12-20-24-15-25-28(20)14-17;18-12(13(19)10-3-1-2-6-14-10)9-4-5-11-15-8-16-17(11)7-9;1-10-8-7-9-5-3-2-4-6-9;1-2(3)4;5*1-2;;;/h1-8,10,12-15H,9,11H2,(H,26,27);1-8H;2-6H,7-8H2,1H3;1H3,(H,3,4);4*1-2H3;1H3;1H;1H3;.
What are the key properties of acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide?
acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide has a molecular weight of 1273.01 g/mol, XLogP of 13.06, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;ethane;iodomethane;2-methoxyethylbenzene;6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;1-pyridin-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;vanadium;hydroiodide is sourced from PubChem (CID 159668048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).