6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium

C145H191B2Br2F8IN25O14S6V- — CID 160673183

IUPAC6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium
SMILESC.C.C.C.C.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCC(C)(F)F.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(F)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(F)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCNCC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(N)cc3c2)s1.Cc1nnc(Br)s1.FC(F)CI.Nc1cc2cc(Br)ccc2cn1.[CH3-].[V]
InChIInChI=1S/C24H28N4O3S.C22H24F2N4OS.C21H22F2N4OS.C19H20N4OS.C12H24B2O4.C12H10N4S.C11H19NO4.C9H7BrN2.C4H8F2.C3H3BrN2S.C2H3F2I.5CH4.CH3.V/c1-15-26-27-22(32-15)17-5-6-18-14-25-20(12-19(18)11-17)13-21(29)16-7-9-28(10-8-16)23(30)31-24(2,3)4;1-14-26-27-21(30-14)16-3-4-17-12-25-19(10-18(17)9-16)11-20(29)15-5-7-28(8-6-15)13-22(2,23)24;1-13-25-26-21(29-13)15-2-3-16-11-24-18(9-17(16)8-15)10-19(28)14-4-6-27(7-5-14)12-20(22)23;1-12-22-23-19(25-12)14-2-3-15-11-21-17(9-16(15)8-14)10-18(24)13-4-6-20-7-5-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-15-16-12(17-7)8-2-3-9-6-14-11(13)5-10(9)4-8;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-3-4(2,5)6;1-2-5-6-3(4)7-2;3-2(4)1-5;;;;;;;/h5-6,11-12,14,16H,7-10,13H2,1-4H3;3-4,9-10,12,15H,5-8,11,13H2,1-2H3;2-3,8-9,11,14,20H,4-7,10,12H2,1H3;2-3,8-9,11,13,20H,4-7,10H2,1H3;1-8H3;2-6H,1H3,(H2,13,14);8H,4-7H2,1-3H3,(H,13,14);1-5H,(H2,11,12);3H2,1-2H3;1H3;2H,1H2;5*1H4;1H3;/q;;;;;;;;;;;;;;;;-1;
InChIKeyNZHSDSRGHCASBK-UHFFFAOYSA-N
MW3211.95 g/mol
LogP34.85
Rot. Bonds25

About 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium

6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium (PubChem CID 160673183) has the molecular formula C145H191B2Br2F8IN25O14S6V- and a molecular weight of 3211.95 g/mol. Its IUPAC name is 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium.

Molecular Properties

Compound Name6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium
PubChem CID160673183
Molecular FormulaC145H191B2Br2F8IN25O14S6V-
Molecular Weight3211.95 g/mol
Exact Mass3208.02
IUPAC Name6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium
SMILESC.C.C.C.C.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCC(C)(F)F.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(F)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(F)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCNCC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(N)cc3c2)s1.Cc1nnc(Br)s1.FC(F)CI.Nc1cc2cc(Br)ccc2cn1.[CH3-].[V]
InChIInChI=1S/C24H28N4O3S.C22H24F2N4OS.C21H22F2N4OS.C19H20N4OS.C12H24B2O4.C12H10N4S.C11H19NO4.C9H7BrN2.C4H8F2.C3H3BrN2S.C2H3F2I.5CH4.CH3.V/c1-15-26-27-22(32-15)17-5-6-18-14-25-20(12-19(18)11-17)13-21(29)16-7-9-28(10-8-16)23(30)31-24(2,3)4;1-14-26-27-21(30-14)16-3-4-17-12-25-19(10-18(17)9-16)11-20(29)15-5-7-28(8-6-15)13-22(2,23)24;1-13-25-26-21(29-13)15-2-3-16-11-24-18(9-17(16)8-15)10-19(28)14-4-6-27(7-5-14)12-20(22)23;1-12-22-23-19(25-12)14-2-3-15-11-21-17(9-16(15)8-14)10-18(24)13-4-6-20-7-5-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-15-16-12(17-7)8-2-3-9-6-14-11(13)5-10(9)4-8;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-3-4(2,5)6;1-2-5-6-3(4)7-2;3-2(4)1-5;;;;;;;/h5-6,11-12,14,16H,7-10,13H2,1-4H3;3-4,9-10,12,15H,5-8,11,13H2,1-2H3;2-3,8-9,11,14,20H,4-7,10,12H2,1H3;2-3,8-9,11,13,20H,4-7,10H2,1H3;1-8H3;2-6H,1H3,(H2,13,14);8H,4-7H2,1-3H3,(H,13,14);1-5H,(H2,11,12);3H2,1-2H3;1H3;2H,1H2;5*1H4;1H3;/q;;;;;;;;;;;;;;;;-1;
InChIKeyNZHSDSRGHCASBK-UHFFFAOYSA-N
XLogP34.85
TPSA504.15 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds25
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003211.95
LogP ≤ 534.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium?
The IUPAC name of 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium (CID 160673183) is 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium.
What is the SMILES notation for 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium?
The canonical SMILES for 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium is C.C.C.C.C.CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCC(C)(F)F.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(C)(F)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCN(CC(F)F)CC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(CC(=O)C4CCNCC4)cc3c2)s1.Cc1nnc(-c2ccc3cnc(N)cc3c2)s1.Cc1nnc(Br)s1.FC(F)CI.Nc1cc2cc(Br)ccc2cn1.[CH3-].[V].
What is the InChIKey of 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium?
The InChIKey is NZHSDSRGHCASBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S.C22H24F2N4OS.C21H22F2N4OS.C19H20N4OS.C12H24B2O4.C12H10N4S.C11H19NO4.C9H7BrN2.C4H8F2.C3H3BrN2S.C2H3F2I.5CH4.CH3.V/c1-15-26-27-22(32-15)17-5-6-18-14-25-20(12-19(18)11-17)13-21(29)16-7-9-28(10-8-16)23(30)31-24(2,3)4;1-14-26-27-21(30-14)16-3-4-17-12-25-19(10-18(17)9-16)11-20(29)15-5-7-28(8-6-15)13-22(2,23)24;1-13-25-26-21(29-13)15-2-3-16-11-24-18(9-17(16)8-15)10-19(28)14-4-6-27(7-5-14)12-20(22)23;1-12-22-23-19(25-12)14-2-3-15-11-21-17(9-16(15)8-14)10-18(24)13-4-6-20-7-5-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-15-16-12(17-7)8-2-3-9-6-14-11(13)5-10(9)4-8;1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-3-4(2,5)6;1-2-5-6-3(4)7-2;3-2(4)1-5;;;;;;;/h5-6,11-12,14,16H,7-10,13H2,1-4H3;3-4,9-10,12,15H,5-8,11,13H2,1-2H3;2-3,8-9,11,14,20H,4-7,10,12H2,1H3;2-3,8-9,11,13,20H,4-7,10H2,1H3;1-8H3;2-6H,1H3,(H2,13,14);8H,4-7H2,1-3H3,(H,13,14);1-5H,(H2,11,12);3H2,1-2H3;1H3;2H,1H2;5*1H4;1H3;/q;;;;;;;;;;;;;;;;-1;.
What are the key properties of 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium?
6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium has a molecular weight of 3211.95 g/mol, XLogP of 34.85, 25 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoisoquinolin-3-amine;2-bromo-5-methyl-1,3,4-thiadiazole;tert-butyl 4-[2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]acetyl]piperidine-1-carboxylate;carbanide;2,2-difluorobutane;1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1,1-difluoro-2-iodoethane;1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine;2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium is sourced from PubChem (CID 160673183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).