6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium

C139H185Br4F6I7N24O10V- — CID 158090807

IUPAC6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium
SMILESCC(C)(C)OC(=O)N1CCC(F)(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(F)(CCc2cc3cc(Br)ccc3cn2)CC1.CC(C)CI.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-n4ccnn4)ccc3cn2)CC1.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-n4nccn4)ccc3cn2)CC1.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(Br)ccc3cn2)CC1.CCC(C)I.CN(C)CCN.ICI.I[V](I)I.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)C1(F)CCNCC1.[CH2-]CC.c1cn[nH]n1
InChIInChI=1S/2C22H26FN5O.C21H26BrFN2O2.C20H24BrFN2O.C16H16BrFN2O.C11H18FNO4.C9H7BrN2.2C4H9I.C4H12N2.C3H7.C2H3N3.CH2I2.3HI.V/c1-16(2)15-27-9-5-22(23,6-10-27)21(29)13-19-11-18-12-20(28-25-7-8-26-28)4-3-17(18)14-24-19;1-16(2)15-27-8-5-22(23,6-9-27)21(29)13-19-11-18-12-20(28-10-7-25-26-28)4-3-17(18)14-24-19;1-20(2,3)27-19(26)25-10-8-21(23,9-11-25)7-6-18-13-16-12-17(22)5-4-15(16)14-24-18;1-14(2)13-24-7-5-20(22,6-8-24)19(25)11-18-10-16-9-17(21)4-3-15(16)12-23-18;17-13-2-1-11-10-20-14(8-12(11)7-13)9-15(21)16(18)3-5-19-6-4-16;1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-4(2)3-5;1-3-4(2)5;1-6(2)4-3-5;1-3-2;1-2-4-5-3-1;2-1-3;;;;/h3-4,7-8,11-12,14,16H,5-6,9-10,13,15H2,1-2H3;3-4,7,10-12,14,16H,5-6,8-9,13,15H2,1-2H3;4-5,12-14H,6-11H2,1-3H3;3-4,9-10,12,14H,5-8,11,13H2,1-2H3;1-2,7-8,10,19H,3-6,9H2;4-7H2,1-3H3,(H,14,15);1-5H,(H2,11,12);2*4H,3H2,1-2H3;3-5H2,1-2H3;1,3H2,2H3;1-2H,(H,3,4,5);1H2;3*1H;/q;;;;;;;;;;-1;;;;;;+3/p-3
InChIKeyNAZQTYJMLIDZMJ-UHFFFAOYSA-K
MW3725.04 g/mol
LogP33.91
Rot. Bonds28

About 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium

6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium (PubChem CID 158090807) has the molecular formula C139H185Br4F6I7N24O10V- and a molecular weight of 3725.04 g/mol. Its IUPAC name is 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium.

Molecular Properties

Compound Name6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium
PubChem CID158090807
Molecular FormulaC139H185Br4F6I7N24O10V-
Molecular Weight3725.04 g/mol
Exact Mass3719.41
IUPAC Name6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium
SMILESCC(C)(C)OC(=O)N1CCC(F)(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(F)(CCc2cc3cc(Br)ccc3cn2)CC1.CC(C)CI.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-n4ccnn4)ccc3cn2)CC1.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-n4nccn4)ccc3cn2)CC1.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(Br)ccc3cn2)CC1.CCC(C)I.CN(C)CCN.ICI.I[V](I)I.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)C1(F)CCNCC1.[CH2-]CC.c1cn[nH]n1
InChIInChI=1S/2C22H26FN5O.C21H26BrFN2O2.C20H24BrFN2O.C16H16BrFN2O.C11H18FNO4.C9H7BrN2.2C4H9I.C4H12N2.C3H7.C2H3N3.CH2I2.3HI.V/c1-16(2)15-27-9-5-22(23,6-10-27)21(29)13-19-11-18-12-20(28-25-7-8-26-28)4-3-17(18)14-24-19;1-16(2)15-27-8-5-22(23,6-9-27)21(29)13-19-11-18-12-20(28-10-7-25-26-28)4-3-17(18)14-24-19;1-20(2,3)27-19(26)25-10-8-21(23,9-11-25)7-6-18-13-16-12-17(22)5-4-15(16)14-24-18;1-14(2)13-24-7-5-20(22,6-8-24)19(25)11-18-10-16-9-17(21)4-3-15(16)12-23-18;17-13-2-1-11-10-20-14(8-12(11)7-13)9-15(21)16(18)3-5-19-6-4-16;1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-4(2)3-5;1-3-4(2)5;1-6(2)4-3-5;1-3-2;1-2-4-5-3-1;2-1-3;;;;/h3-4,7-8,11-12,14,16H,5-6,9-10,13,15H2,1-2H3;3-4,7,10-12,14,16H,5-6,8-9,13,15H2,1-2H3;4-5,12-14H,6-11H2,1-3H3;3-4,9-10,12,14H,5-8,11,13H2,1-2H3;1-2,7-8,10,19H,3-6,9H2;4-7H2,1-3H3,(H,14,15);1-5H,(H2,11,12);2*4H,3H2,1-2H3;3-5H2,1-2H3;1,3H2,2H3;1-2H,(H,3,4,5);1H2;3*1H;/q;;;;;;;;;;-1;;;;;;+3/p-3
InChIKeyNAZQTYJMLIDZMJ-UHFFFAOYSA-K
XLogP33.91
TPSA422.02 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003725.04
LogP ≤ 533.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium with MolForge

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Related Compounds

6-Bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;4-bromo-1-methyltriazole;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)acetyl]piperidine-1-carboxylate;diiodomethane;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;propane;2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-3-iodopropane;triiodovanadium
CID 157243306
6-Bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;4-bromo-1-methyltriazole;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)acetyl]piperidine-1-carboxylate;diiodomethane;1-iodopropane;2-iodopropane;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;propane;2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-3-iodopropane
CID 158928363
6-Bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;4-bromo-1-methyltriazole;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)acetyl]piperidine-1-carboxylate;diiodomethane;1,1-diiodopropane;ethane;1-iodopropane;2-iodopropane;methane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;propane;2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;1,1,1-trifluoro-3-iodopropane;triiodovanadium
CID 161077601
6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)acetyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;methane;propane;2H-triazole;triiodovanadium
CID 157729238
6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)acetyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;methane;2H-triazole
CID 161277134
6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)acetyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;methane;propane;2H-triazole;triiodovanadium
CID 162253323
6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)acetyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium
CID 163862783

Frequently Asked Questions

What is the IUPAC name of 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium?
The IUPAC name of 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium (CID 158090807) is 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium.
What is the SMILES notation for 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium?
The canonical SMILES for 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium is CC(C)(C)OC(=O)N1CCC(F)(C(=O)O)CC1.CC(C)(C)OC(=O)N1CCC(F)(CCc2cc3cc(Br)ccc3cn2)CC1.CC(C)CI.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-n4ccnn4)ccc3cn2)CC1.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-n4nccn4)ccc3cn2)CC1.CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(Br)ccc3cn2)CC1.CCC(C)I.CN(C)CCN.ICI.I[V](I)I.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)C1(F)CCNCC1.[CH2-]CC.c1cn[nH]n1.
What is the InChIKey of 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium?
The InChIKey is NAZQTYJMLIDZMJ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C22H26FN5O.C21H26BrFN2O2.C20H24BrFN2O.C16H16BrFN2O.C11H18FNO4.C9H7BrN2.2C4H9I.C4H12N2.C3H7.C2H3N3.CH2I2.3HI.V/c1-16(2)15-27-9-5-22(23,6-10-27)21(29)13-19-11-18-12-20(28-25-7-8-26-28)4-3-17(18)14-24-19;1-16(2)15-27-8-5-22(23,6-9-27)21(29)13-19-11-18-12-20(28-10-7-25-26-28)4-3-17(18)14-24-19;1-20(2,3)27-19(26)25-10-8-21(23,9-11-25)7-6-18-13-16-12-17(22)5-4-15(16)14-24-18;1-14(2)13-24-7-5-20(22,6-8-24)19(25)11-18-10-16-9-17(21)4-3-15(16)12-23-18;17-13-2-1-11-10-20-14(8-12(11)7-13)9-15(21)16(18)3-5-19-6-4-16;1-10(2,3)17-9(16)13-6-4-11(12,5-7-13)8(14)15;10-8-2-1-6-5-12-9(11)4-7(6)3-8;1-4(2)3-5;1-3-4(2)5;1-6(2)4-3-5;1-3-2;1-2-4-5-3-1;2-1-3;;;;/h3-4,7-8,11-12,14,16H,5-6,9-10,13,15H2,1-2H3;3-4,7,10-12,14,16H,5-6,8-9,13,15H2,1-2H3;4-5,12-14H,6-11H2,1-3H3;3-4,9-10,12,14H,5-8,11,13H2,1-2H3;1-2,7-8,10,19H,3-6,9H2;4-7H2,1-3H3,(H,14,15);1-5H,(H2,11,12);2*4H,3H2,1-2H3;3-5H2,1-2H3;1,3H2,2H3;1-2H,(H,3,4,5);1H2;3*1H;/q;;;;;;;;;;-1;;;;;;+3/p-3.
What are the key properties of 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium?
6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium has a molecular weight of 3725.04 g/mol, XLogP of 33.91, 28 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoisoquinolin-3-amine;2-(6-bromoisoquinolin-3-yl)-1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]ethanone;2-(6-bromoisoquinolin-3-yl)-1-(4-fluoropiperidin-4-yl)ethanone;tert-butyl 4-[2-(6-bromoisoquinolin-3-yl)ethyl]-4-fluoropiperidine-1-carboxylate;diiodomethane;N',N'-dimethylethane-1,2-diamine;4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-1-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(triazol-2-yl)isoquinolin-3-yl]ethanone;2-iodobutane;1-iodo-2-methylpropane;propane;2H-triazole;triiodovanadium is sourced from PubChem (CID 158090807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).