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

C137H180Br4F6I4N24O11 — CID 161277134

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)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
SMILESC.CC(C)(C)OC(=O)N1CCC(F)(C(=O)Cc2cc3cc(Br)ccc3cn2)CC1.CC(C)(C)OC(=O)N1CCC(F)(C(=O)O)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.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)C1(F)CCNCC1.c1cn[nH]n1
InChIInChI=1S/2C22H26FN5O.C21H24BrFN2O3.C20H24BrFN2O.C16H16BrFN2O.C11H18FNO4.C9H7BrN2.2C4H9I.C4H12N2.C2H3N3.CH2I2.CH4/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)28-19(27)25-8-6-21(23,7-9-25)18(26)12-17-11-15-10-16(22)5-4-14(15)13-24-17;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;1-2-4-5-3-1;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;4-5,10-11,13H,6-9,12H2,1-3H3;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;1-2H,(H,3,4,5);1H2;1H4
InChIKeyVEOVFCZLANEIQV-UHFFFAOYSA-N
MW3280.32 g/mol
LogP29.84
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)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

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 (PubChem CID 161277134) has the molecular formula C137H180Br4F6I4N24O11 and a molecular weight of 3280.32 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)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.

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)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
PubChem CID161277134
Molecular FormulaC137H180Br4F6I4N24O11
Molecular Weight3280.32 g/mol
Exact Mass3274.71
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)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
SMILESC.CC(C)(C)OC(=O)N1CCC(F)(C(=O)Cc2cc3cc(Br)ccc3cn2)CC1.CC(C)(C)OC(=O)N1CCC(F)(C(=O)O)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.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)C1(F)CCNCC1.c1cn[nH]n1
InChIInChI=1S/2C22H26FN5O.C21H24BrFN2O3.C20H24BrFN2O.C16H16BrFN2O.C11H18FNO4.C9H7BrN2.2C4H9I.C4H12N2.C2H3N3.CH2I2.CH4/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)28-19(27)25-8-6-21(23,7-9-25)18(26)12-17-11-15-10-16(22)5-4-14(15)13-24-17;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;1-2-4-5-3-1;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;4-5,10-11,13H,6-9,12H2,1-3H3;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;1-2H,(H,3,4,5);1H2;1H4
InChIKeyVEOVFCZLANEIQV-UHFFFAOYSA-N
XLogP29.84
TPSA439.09 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003280.32
LogP ≤ 529.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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)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 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
tert-butyl 9-(7-bromoquinoxalin-2-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 175739710
3-benzyl-3,9-diazaspiro[5.5]undecane;tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 159956828
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-[fluoro-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-1-yl]methanone;tert-butyl 4-[[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]-hydroxymethyl]piperidine-1-carboxylate;3-fluoro-4-(trifluoromethyl)pyridine
CID 162261562
tert-butyl 4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carboxylate;6-(4-fluoropiperidin-4-yl)pyridine-3-carbonitrile
CID 159932461
tert-butyl 4-[(4-bromo-2-carbamoylphenyl)carbamoyl]-4-fluoropiperidine-1-carboxylate
CID 151994953
tert-butyl 4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate
CID 151484896
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
tert-butyl 4-[2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]acetyl]piperidine-1-carboxylate
CID 158962308
5-bromopyridin-1-ium-2-carbaldehyde;tert-butyl 4-[(5-bromo-2-pyridinyl)methyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 158430063
1-[3-[[4-fluoro-1-(2-methylpropyl)piperidine-4-carbonyl]amino]isoquinolin-6-yl]ethenyl N-methylethanimidate
CID 166702198
tert-butyl 4-(aminomethyl)-4-[1H-indol-2-yl(methyl)carbamoyl]piperidine-1-carboxylate
CID 68664172

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)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?
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)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) 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)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.
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)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?
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)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 is C.CC(C)(C)OC(=O)N1CCC(F)(C(=O)Cc2cc3cc(Br)ccc3cn2)CC1.CC(C)(C)OC(=O)N1CCC(F)(C(=O)O)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.Nc1cc2cc(Br)ccc2cn1.O=C(Cc1cc2cc(Br)ccc2cn1)C1(F)CCNCC1.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)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?
The InChIKey is VEOVFCZLANEIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H26FN5O.C21H24BrFN2O3.C20H24BrFN2O.C16H16BrFN2O.C11H18FNO4.C9H7BrN2.2C4H9I.C4H12N2.C2H3N3.CH2I2.CH4/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)28-19(27)25-8-6-21(23,7-9-25)18(26)12-17-11-15-10-16(22)5-4-14(15)13-24-17;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;1-2-4-5-3-1;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;4-5,10-11,13H,6-9,12H2,1-3H3;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;1-2H,(H,3,4,5);1H2;1H4.
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)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?
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 has a molecular weight of 3280.32 g/mol, XLogP of 29.84, 28 rotatable bonds, 5 hydrogen bond donors, and 31 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)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 is sourced from PubChem (CID 161277134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).