carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten

C157H168BClF9N29O12W2-2 — CID 157466725

About carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten

carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten (PubChem CID 157466725) has the molecular formula C157H168BClF9N29O12W2-2 and a molecular weight of 3238.19 g/mol. Its IUPAC name is carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten.

Molecular Properties

• Compound Name: carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten
• PubChem CID: 157466725
• Molecular Formula: C157H168BClF9N29O12W2-2
• Molecular Weight: 3238.19 g/mol
• Exact Mass: 3236.21
• IUPAC Name: carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten
• SMILES: C.C.[C-]#[N+]C1CC1.[C-]#[N+]C1CC1B1OC(C)(C)C(C)(C)O1.[C-]#[N+]C1CC1c1nc(-c2[nH]nc3ncc(F)cc23)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)OCC)c1F.[C-]#[N+]C1CC1c1nc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncc(F)cc23)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)OCC)c1F.[C-]#[N+]C1CC1c1nc(Cl)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)OCC)c1F.[C-]#[N+][C@@H]1CC1c1nc(-c2[nH]nc3ncc(F)cc23)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1F.[C-]#[N+][C@H]1CC1c1nc(-c2[nH]nc3ncc(F)cc23)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1F.[CH3-].[CH3-].[W].[W]
• InChI: InChI=1S/C45H40F2N6O2.C26H26F2N6O2.2C24H22F2N6O2.C20H23ClFN3O2.C10H16BNO2.C4H5N.2CH4.2CH3.2W/c1-3-55-44(54)38-28-21-19-27(20-22-28)33(38)24-37-39(47)40(34-25-36(34)48-2)51-42(50-37)41-35-23-32(46)26-49-43(35)53(52-41)45(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31;1-3-36-26(35)20-13-6-4-12(5-7-13)15(20)9-19-21(28)22(16-10-18(16)29-2)32-25(31-19)23-17-8-14(27)11-30-24(17)34-33-23;2*1-27-16-8-14(16)20-19(26)17(7-13-10-2-4-11(5-3-10)18(13)24(33)34)29-23(30-20)21-15-6-12(25)9-28-22(15)32-31-21;1-3-27-19(26)16-11-6-4-10(5-7-11)12(16)8-15-17(22)18(25-20(21)24-15)13-9-14(13)23-2;1-9(2)10(3,4)14-11(13-9)7-6-8(7)12-5;1-5-4-2-3-4;;;;;;/h4-18,23,26-28,33-34,36,38H,3,19-22,24-25H2,1H3;8,11-13,15-16,18,20H,3-7,9-10H2,1H3,(H,30,33,34);2*6,9-11,13-14,16,18H,2-5,7-8H2,(H,33,34)(H,28,31,32);10-14,16H,3-9H2,1H3;7-8H,6H2,1-4H3;4H,2-3H2;2*1H4;2*1H3;;/q;;;;;;;;;2*-1;;/t27?,28?,33-,34?,36?,38-;12?,13?,15-,16?,18?,20-;10?,11?,13-,14?,16+,18-;10?,11?,13-,14?,16-,18-;10?,11?,12-,13?,14?,16-;;;;;;;;/m00000......../s1
• InChIKey: OTVRPCSNTGIVNP-KHWUYHPMSA-N
• XLogP: 31.44
• TPSA: 486.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3238.19
LogP ≤ 5	31.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten?

The IUPAC name of carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten (CID 157466725) is carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten.

What is the SMILES notation for carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten?

The canonical SMILES for carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten is C.C.[C-]#[N+]C1CC1.[C-]#[N+]C1CC1B1OC(C)(C)C(C)(C)O1.[C-]#[N+]C1CC1c1nc(-c2[nH]nc3ncc(F)cc23)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)OCC)c1F.[C-]#[N+]C1CC1c1nc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncc(F)cc23)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)OCC)c1F.[C-]#[N+]C1CC1c1nc(Cl)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)OCC)c1F.[C-]#[N+][C@@H]1CC1c1nc(-c2[nH]nc3ncc(F)cc23)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1F.[C-]#[N+][C@H]1CC1c1nc(-c2[nH]nc3ncc(F)cc23)nc(C[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)c1F.[CH3-].[CH3-].[W].[W].

What is the InChIKey of carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten?

The InChIKey is OTVRPCSNTGIVNP-KHWUYHPMSA-N. The full InChI is InChI=1S/C45H40F2N6O2.C26H26F2N6O2.2C24H22F2N6O2.C20H23ClFN3O2.C10H16BNO2.C4H5N.2CH4.2CH3.2W/c1-3-55-44(54)38-28-21-19-27(20-22-28)33(38)24-37-39(47)40(34-25-36(34)48-2)51-42(50-37)41-35-23-32(46)26-49-43(35)53(52-41)45(29-13-7-4-8-14-29,30-15-9-5-10-16-30)31-17-11-6-12-18-31;1-3-36-26(35)20-13-6-4-12(5-7-13)15(20)9-19-21(28)22(16-10-18(16)29-2)32-25(31-19)23-17-8-14(27)11-30-24(17)34-33-23;2*1-27-16-8-14(16)20-19(26)17(7-13-10-2-4-11(5-3-10)18(13)24(33)34)29-23(30-20)21-15-6-12(25)9-28-22(15)32-31-21;1-3-27-19(26)16-11-6-4-10(5-7-11)12(16)8-15-17(22)18(25-20(21)24-15)13-9-14(13)23-2;1-9(2)10(3,4)14-11(13-9)7-6-8(7)12-5;1-5-4-2-3-4;;;;;;/h4-18,23,26-28,33-34,36,38H,3,19-22,24-25H2,1H3;8,11-13,15-16,18,20H,3-7,9-10H2,1H3,(H,30,33,34);2*6,9-11,13-14,16,18H,2-5,7-8H2,(H,33,34)(H,28,31,32);10-14,16H,3-9H2,1H3;7-8H,6H2,1-4H3;4H,2-3H2;2*1H4;2*1H3;;/q;;;;;;;;;2*-1;;/t27?,28?,33-,34?,36?,38-;12?,13?,15-,16?,18?,20-;10?,11?,13-,14?,16+,18-;10?,11?,13-,14?,16-,18-;10?,11?,12-,13?,14?,16-;;;;;;;;/m00000......../s1.

What are the key properties of carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten?

carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten has a molecular weight of 3238.19 g/mol, XLogP of 31.44, 32 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;ethyl (2S,3S)-3-[[2-chloro-5-fluoro-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;ethyl (2S,3S)-3-[[5-fluoro-2-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-6-(2-isocyanocyclopropyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylate;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2R)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-[(2S)-2-isocyanocyclopropyl]pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;isocyanocyclopropane;2-(2-isocyanocyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;methane;tungsten is sourced from PubChem (CID 157466725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).