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

C150H167F4N27O9 — CID 158663002

IUPAC1-(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
SMILESCC(C)OCCN1CC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.COCCN1CC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CN(C5CCC5)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CN(CC(C)(C)C)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCC4)cc3c2)cn1
InChIInChI=1S/C23H27FN4O2.C23H27FN4O.C22H23FN4O.C21H23FN4O2.C21H24N4O.C20H22N4O.C20H21N3O/c1-16(2)30-7-6-28-14-23(24,15-28)22(29)10-21-9-19-8-17(4-5-18(19)11-25-21)20-12-26-27(3)13-20;1-22(2,3)13-28-14-23(24,15-28)21(29)9-20-8-18-7-16(5-6-17(18)10-25-20)19-11-26-27(4)12-19;1-26-12-18(11-25-26)15-5-6-16-10-24-19(8-17(16)7-15)9-21(28)22(23)13-27(14-22)20-3-2-4-20;1-25-12-18(11-24-25)15-3-4-16-10-23-19(8-17(16)7-15)9-20(27)21(22)13-26(14-21)5-6-28-2;1-3-25-7-6-17(14-25)21(26)10-20-9-18-8-15(4-5-16(18)11-22-20)19-12-23-24(2)13-19;1-23-6-5-16(12-23)20(25)9-19-8-17-7-14(3-4-15(17)10-21-19)18-11-22-24(2)13-18;1-23-13-18(12-22-23)15-6-7-16-11-21-19(9-17(16)8-15)10-20(24)14-4-2-3-5-14/h4-5,8-9,11-13,16H,6-7,10,14-15H2,1-3H3;5-8,10-12H,9,13-15H2,1-4H3;5-8,10-12,20H,2-4,9,13-14H2,1H3;3-4,7-8,10-12H,5-6,9,13-14H2,1-2H3;4-5,8-9,11-13,17H,3,6-7,10,14H2,1-2H3;3-4,7-8,10-11,13,16H,5-6,9,12H2,1-2H3;6-9,11-14H,2-5,10H2,1H3
InChIKeyICZLZFIQVYQOIE-UHFFFAOYSA-N
MW2568.16 g/mol
LogP22.48
Rot. Bonds38

About 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

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 (PubChem CID 158663002) has the molecular formula C150H167F4N27O9 and a molecular weight of 2568.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158663002
Molecular FormulaC150H167F4N27O9
Molecular Weight2568.16 g/mol
Exact Mass2566.34
IUPAC Name1-(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
SMILESCC(C)OCCN1CC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.COCCN1CC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CN(C5CCC5)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CN(CC(C)(C)C)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCC4)cc3c2)cn1
InChIInChI=1S/C23H27FN4O2.C23H27FN4O.C22H23FN4O.C21H23FN4O2.C21H24N4O.C20H22N4O.C20H21N3O/c1-16(2)30-7-6-28-14-23(24,15-28)22(29)10-21-9-19-8-17(4-5-18(19)11-25-21)20-12-26-27(3)13-20;1-22(2,3)13-28-14-23(24,15-28)21(29)9-20-8-18-7-16(5-6-17(18)10-25-20)19-11-26-27(4)12-19;1-26-12-18(11-25-26)15-5-6-16-10-24-19(8-17(16)7-15)9-21(28)22(23)13-27(14-22)20-3-2-4-20;1-25-12-18(11-24-25)15-3-4-16-10-23-19(8-17(16)7-15)9-20(27)21(22)13-26(14-21)5-6-28-2;1-3-25-7-6-17(14-25)21(26)10-20-9-18-8-15(4-5-16(18)11-22-20)19-12-23-24(2)13-19;1-23-6-5-16(12-23)20(25)9-19-8-17-7-14(3-4-15(17)10-21-19)18-11-22-24(2)13-18;1-23-13-18(12-22-23)15-6-7-16-11-21-19(9-17(16)8-15)10-20(24)14-4-2-3-5-14/h4-5,8-9,11-13,16H,6-7,10,14-15H2,1-3H3;5-8,10-12H,9,13-15H2,1-4H3;5-8,10-12,20H,2-4,9,13-14H2,1H3;3-4,7-8,10-12H,5-6,9,13-14H2,1-2H3;4-5,8-9,11-13,17H,3,6-7,10,14H2,1-2H3;3-4,7-8,10-11,13,16H,5-6,9,12H2,1-2H3;6-9,11-14H,2-5,10H2,1H3
InChIKeyICZLZFIQVYQOIE-UHFFFAOYSA-N
XLogP22.48
TPSA372.36 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002568.16
LogP ≤ 522.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-[(3R)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3S)-1-benzyl-5,5-difluoropiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(1-cyclohexylethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-(cyclohexylmethyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;6-[(3R)-1-ethylpyrrolidin-3-yl]-3-(2-methylpyrazol-3-yl)-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one;bis(3-(2-methyl-4-pyridinyl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-5,8-dihydro-1H-pyrrolo[3,4-g]isoquinolin-7-one)
CID 159811188
1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[3-(dimethylamino)azetidin-1-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4,4-dimethylpiperazin-4-ium-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(1-methylpiperidin-4-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-pyrrolidin-1-yl-4-pyridinyl)ethanone
CID 157321208
1-(1-cyclohexylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2S)-piperidin-2-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(2-propyl-2-azaspiro[3.3]heptan-6-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2R)-pyrrolidin-2-yl]ethanone
CID 157540774
2-[6-[5-(Aminomethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]ethanone;1-[2-(7-azaspiro[3.5]nonan-7-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;ethoxyethane;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158023278
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
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
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-[2-(2-Azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(cyclohexylamino)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-4-pyridinyl]-2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158632496
2-[6-[1-(1-Methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone;1-(1-piperidin-4-ylpyrazol-4-yl)-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 158638494
1-[2-(2-azaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[2-methyl-6-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158742835

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OCCN1CC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.COCCN1CC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CN(C5CCC5)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4(F)CN(CC(C)(C)C)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCC4)cc3c2)cn1.
What is the InChIKey of 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?
The InChIKey is ICZLZFIQVYQOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2.C23H27FN4O.C22H23FN4O.C21H23FN4O2.C21H24N4O.C20H22N4O.C20H21N3O/c1-16(2)30-7-6-28-14-23(24,15-28)22(29)10-21-9-19-8-17(4-5-18(19)11-25-21)20-12-26-27(3)13-20;1-22(2,3)13-28-14-23(24,15-28)21(29)9-20-8-18-7-16(5-6-17(18)10-25-20)19-11-26-27(4)12-19;1-26-12-18(11-25-26)15-5-6-16-10-24-19(8-17(16)7-15)9-21(28)22(23)13-27(14-22)20-3-2-4-20;1-25-12-18(11-24-25)15-3-4-16-10-23-19(8-17(16)7-15)9-20(27)21(22)13-26(14-21)5-6-28-2;1-3-25-7-6-17(14-25)21(26)10-20-9-18-8-15(4-5-16(18)11-22-20)19-12-23-24(2)13-19;1-23-6-5-16(12-23)20(25)9-19-8-17-7-14(3-4-15(17)10-21-19)18-11-22-24(2)13-18;1-23-13-18(12-22-23)15-6-7-16-11-21-19(9-17(16)8-15)10-20(24)14-4-2-3-5-14/h4-5,8-9,11-13,16H,6-7,10,14-15H2,1-3H3;5-8,10-12H,9,13-15H2,1-4H3;5-8,10-12,20H,2-4,9,13-14H2,1H3;3-4,7-8,10-12H,5-6,9,13-14H2,1-2H3;4-5,8-9,11-13,17H,3,6-7,10,14H2,1-2H3;3-4,7-8,10-11,13,16H,5-6,9,12H2,1-2H3;6-9,11-14H,2-5,10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2568.16 g/mol, XLogP of 22.48, 38 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158663002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).