bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone

C142H160F2N32O8 — CID 158210337

IUPACbis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
SMILESCCCN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(F)(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@H]4CCCO4)cc3c2)nn1
InChIInChI=1S/C22H26FN5O.C22H27N5O.C20H22FN5O.C20H23N5O.2C20H22N4O.C18H18N4O2/c1-3-8-28-9-6-22(23,7-10-28)21(29)13-19-12-18-11-16(4-5-17(18)14-24-19)20-15-27(2)26-25-20;1-3-8-27-9-6-16(7-10-27)22(28)13-20-12-19-11-17(4-5-18(19)14-23-20)21-15-26(2)25-24-21;1-25-7-5-20(21,6-8-25)19(27)11-17-10-16-9-14(3-4-15(16)12-22-17)18-13-26(2)24-23-18;1-24-7-5-14(6-8-24)20(26)11-18-10-17-9-15(3-4-16(17)12-21-18)19-13-25(2)23-22-19;2*1-24-13-19(22-23-24)15-7-8-16-12-21-18(10-17(16)9-15)11-20(25)14-5-3-2-4-6-14;1-22-11-16(20-21-22)12-4-5-13-10-19-15(8-14(13)7-12)9-17(23)18-3-2-6-24-18/h4-5,11-12,14-15H,3,6-10,13H2,1-2H3;4-5,11-12,14-16H,3,6-10,13H2,1-2H3;3-4,9-10,12-13H,5-8,11H2,1-2H3;3-4,9-10,12-14H,5-8,11H2,1-2H3;2*7-10,12-14H,2-6,11H2,1H3;4-5,7-8,10-11,18H,2-3,6,9H2,1H3/t;;;;;;18-/m......1/s1
InChIKeyGBZOXLGJBBQANU-UQTKDWPTSA-N
MW2481.05 g/mol
LogP21.44
Rot. Bonds32

About bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone

bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone (PubChem CID 158210337) has the molecular formula C142H160F2N32O8 and a molecular weight of 2481.05 g/mol. Its IUPAC name is bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Namebis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
PubChem CID158210337
Molecular FormulaC142H160F2N32O8
Molecular Weight2481.05 g/mol
Exact Mass2479.31
IUPAC Namebis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
SMILESCCCN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(F)(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@H]4CCCO4)cc3c2)nn1
InChIInChI=1S/C22H26FN5O.C22H27N5O.C20H22FN5O.C20H23N5O.2C20H22N4O.C18H18N4O2/c1-3-8-28-9-6-22(23,7-10-28)21(29)13-19-12-18-11-16(4-5-17(18)14-24-19)20-15-27(2)26-25-20;1-3-8-27-9-6-16(7-10-27)22(28)13-20-12-19-11-17(4-5-18(19)14-23-20)21-15-26(2)25-24-21;1-25-7-5-20(21,6-8-25)19(27)11-17-10-16-9-14(3-4-15(16)12-22-17)18-13-26(2)24-23-18;1-24-7-5-14(6-8-24)20(26)11-18-10-17-9-15(3-4-16(17)12-21-18)19-13-25(2)23-22-19;2*1-24-13-19(22-23-24)15-7-8-16-12-21-18(10-17(16)9-15)11-20(25)14-5-3-2-4-6-14;1-22-11-16(20-21-22)12-4-5-13-10-19-15(8-14(13)7-12)9-17(23)18-3-2-6-24-18/h4-5,11-12,14-15H,3,6-10,13H2,1-2H3;4-5,11-12,14-16H,3,6-10,13H2,1-2H3;3-4,9-10,12-13H,5-8,11H2,1-2H3;3-4,9-10,12-14H,5-8,11H2,1-2H3;2*7-10,12-14H,2-6,11H2,1H3;4-5,7-8,10-11,18H,2-3,6,9H2,1H3/t;;;;;;18-/m......1/s1
InChIKeyGBZOXLGJBBQANU-UQTKDWPTSA-N
XLogP21.44
TPSA446.88 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds32
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.05
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(1-cyclobutylpyrrolidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-ethylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2S)-oxolan-2-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]ethanone
CID 158045262
1-(1-Cyclobutylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-fluorocyclobutyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)azetidin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone
CID 158158516
1-cyclobutyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-ethyl-4-fluoropiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(2R)-oxolan-2-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]-1-[(2R)-pyrrolidin-2-yl]ethanone
CID 158259596
Bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)
CID 158308304
1-(1-Cyclobutyl-3-fluoroazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclopentyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)-3-fluoroazetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-ethylpyrrolidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-1-(2-methoxyethyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-1-(2-propan-2-yloxyethyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-methylpyrrolidin-3-yl)ethanone
CID 158663002
1-(1-Cyclobutylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
CID 158976494
1-Cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 159558576
1-(1-cyclobutyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
CID 159825756
2-[6-(1-Cyclopropylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone;1-(1-ethyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(7-propyl-7-azaspiro[3.5]nonan-2-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
CID 160075572
1-(1-Cyclobutylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-ethyl-4-fluoropiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-fluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propan-2-ylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]ethanone
CID 160275549
1-[1-(2,2-Dimethylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrrolidin-3-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpyrrolidin-3-yl)ethanone)
CID 160302018
1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methoxyethyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-(1-propan-2-ylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone)
CID 160939841

Frequently Asked Questions

What is the IUPAC name of bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?
The IUPAC name of bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone (CID 158210337) is bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?
The canonical SMILES for bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone is CCCN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.CN1CCC(F)(C(=O)Cc2cc3cc(-c4cn(C)nn4)ccc3cn2)CC1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)nn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@H]4CCCO4)cc3c2)nn1.
What is the InChIKey of bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?
The InChIKey is GBZOXLGJBBQANU-UQTKDWPTSA-N. The full InChI is InChI=1S/C22H26FN5O.C22H27N5O.C20H22FN5O.C20H23N5O.2C20H22N4O.C18H18N4O2/c1-3-8-28-9-6-22(23,7-10-28)21(29)13-19-12-18-11-16(4-5-17(18)14-24-19)20-15-27(2)26-25-20;1-3-8-27-9-6-16(7-10-27)22(28)13-20-12-19-11-17(4-5-18(19)14-23-20)21-15-26(2)25-24-21;1-25-7-5-20(21,6-8-25)19(27)11-17-10-16-9-14(3-4-15(16)12-22-17)18-13-26(2)24-23-18;1-24-7-5-14(6-8-24)20(26)11-18-10-17-9-15(3-4-16(17)12-21-18)19-13-25(2)23-22-19;2*1-24-13-19(22-23-24)15-7-8-16-12-21-18(10-17(16)9-15)11-20(25)14-5-3-2-4-6-14;1-22-11-16(20-21-22)12-4-5-13-10-19-15(8-14(13)7-12)9-17(23)18-3-2-6-24-18/h4-5,11-12,14-15H,3,6-10,13H2,1-2H3;4-5,11-12,14-16H,3,6-10,13H2,1-2H3;3-4,9-10,12-13H,5-8,11H2,1-2H3;3-4,9-10,12-14H,5-8,11H2,1-2H3;2*7-10,12-14H,2-6,11H2,1H3;4-5,7-8,10-11,18H,2-3,6,9H2,1H3/t;;;;;;18-/m......1/s1.
What are the key properties of bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone?
bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone has a molecular weight of 2481.05 g/mol, XLogP of 21.44, 32 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-cyclohexyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone);1-(4-fluoro-1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylpiperidin-4-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-oxolan-2-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 158210337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).