carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))

C49H80BIN8O4W3 — CID 158221680

IUPACcarbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))
SMILESCC.CC1(C)OB(c2ccccn2)OC1(C)C.CCc1nn([C-](C)C)c(C)c1C.Cc1c(-c2ccccn2)nn([C-](C)C)c1C.Cc1c(I)nn([C-](C)C)c1C.O=C=O.[2H]C.[CH3-].[CH3-].[CH3-].[W+2].[W+2].[W+2]
InChIInChI=1S/C13H16N3.C11H16BNO2.C10H17N2.C8H12IN2.C2H6.CO2.CH4.3CH3.3W/c1-9(2)16-11(4)10(3)13(15-16)12-7-5-6-8-14-12;1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9;1-6-10-8(4)9(5)12(11-10)7(2)3;1-5(2)11-7(4)6(3)8(9)10-11;1-2;2-1-3;;;;;;;/h5-8H,1-4H3;5-8H,1-4H3;6H2,1-5H3;1-4H3;1-2H3;;1H4;3*1H3;;;/q-1;;2*-1;;;;3*-1;3*+2/i;;;;;;1D;;;;;;
InChIKeyGDHXNRLUXVXIMD-KJPPYSQNSA-N
MW1535.47 g/mol
LogP11.79
Rot. Bonds6

About carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))

carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+)) (PubChem CID 158221680) has the molecular formula C49H80BIN8O4W3 and a molecular weight of 1535.47 g/mol. Its IUPAC name is carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+)).

Molecular Properties

Compound Namecarbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))
PubChem CID158221680
Molecular FormulaC49H80BIN8O4W3
Molecular Weight1535.47 g/mol
Exact Mass1535.40
IUPAC Namecarbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))
SMILESCC.CC1(C)OB(c2ccccn2)OC1(C)C.CCc1nn([C-](C)C)c(C)c1C.Cc1c(-c2ccccn2)nn([C-](C)C)c1C.Cc1c(I)nn([C-](C)C)c1C.O=C=O.[2H]C.[CH3-].[CH3-].[CH3-].[W+2].[W+2].[W+2]
InChIInChI=1S/C13H16N3.C11H16BNO2.C10H17N2.C8H12IN2.C2H6.CO2.CH4.3CH3.3W/c1-9(2)16-11(4)10(3)13(15-16)12-7-5-6-8-14-12;1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9;1-6-10-8(4)9(5)12(11-10)7(2)3;1-5(2)11-7(4)6(3)8(9)10-11;1-2;2-1-3;;;;;;;/h5-8H,1-4H3;5-8H,1-4H3;6H2,1-5H3;1-4H3;1-2H3;;1H4;3*1H3;;;/q-1;;2*-1;;;;3*-1;3*+2/i;;;;;;1D;;;;;;
InChIKeyGDHXNRLUXVXIMD-KJPPYSQNSA-N
XLogP11.79
TPSA131.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001535.47
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+)) 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

4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-7-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]pyrrolo[1,2-b]pyridazine
CID 174013900
2-(1-Methylpyrazol-4-yl)-5-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 90182392
Butanedioic acid;bis(2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrazol-4-yl]pyridine)
CID 137357779
Butanedioic acid;bis(2-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]pyridine)
CID 137357797
tert-butyl N-[1-(5-iodo-2-pyridinyl)cyclopropyl]carbamate;tert-butyl N-[1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclopropyl]carbamate;1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]cyclopropan-1-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;trihydrochloride
CID 157100430
3-Methyl-5-(1-methylpyrazol-3-yl)pyridine;1-methylpyrazol-3-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 159893413
tert-butyl 4-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;1-(difluoromethyl)-4-iodopyrazole;[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-7H-cyclopenta[b]pyridin-6-yl]boronic acid
CID 160165737
3-(2-Methylpyrazol-3-yl)pyridine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 160784934
Carbanide;carbon dioxide;deuterium monohydride;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))
CID 160864132
5-Bromo-2-iodopyridine;5-bromo-2-(1-methylpyrazol-3-yl)pyridine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 161150119
3-(4-Iodopyrazol-1-yl)pyridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
CID 161465810
3-(4-Iodo-3-methylpyrazol-1-yl)pyridine;3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
CID 161632810

Frequently Asked Questions

What is the IUPAC name of carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))?
The IUPAC name of carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+)) (CID 158221680) is carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+)).
What is the SMILES notation for carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))?
The canonical SMILES for carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+)) is CC.CC1(C)OB(c2ccccn2)OC1(C)C.CCc1nn([C-](C)C)c(C)c1C.Cc1c(-c2ccccn2)nn([C-](C)C)c1C.Cc1c(I)nn([C-](C)C)c1C.O=C=O.[2H]C.[CH3-].[CH3-].[CH3-].[W+2].[W+2].[W+2].
What is the InChIKey of carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))?
The InChIKey is GDHXNRLUXVXIMD-KJPPYSQNSA-N. The full InChI is InChI=1S/C13H16N3.C11H16BNO2.C10H17N2.C8H12IN2.C2H6.CO2.CH4.3CH3.3W/c1-9(2)16-11(4)10(3)13(15-16)12-7-5-6-8-14-12;1-10(2)11(3,4)15-12(14-10)9-7-5-6-8-13-9;1-6-10-8(4)9(5)12(11-10)7(2)3;1-5(2)11-7(4)6(3)8(9)10-11;1-2;2-1-3;;;;;;;/h5-8H,1-4H3;5-8H,1-4H3;6H2,1-5H3;1-4H3;1-2H3;;1H4;3*1H3;;;/q-1;;2*-1;;;;3*-1;3*+2/i;;;;;;1D;;;;;;.
What are the key properties of carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+))?
carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+)) has a molecular weight of 1535.47 g/mol, XLogP of 11.79, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;carbon dioxide;deuteriomethane;2-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)pyridine;ethane;3-ethyl-4,5-dimethyl-1-propan-2-ylpyrazole;3-iodo-4,5-dimethyl-1-propan-2-ylpyrazole;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;tris(tungsten(2+)) is sourced from PubChem (CID 158221680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).