1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone

C145H163N27O7 — CID 159299180

IUPAC1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone
SMILESCC(C)CN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)N1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCCN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CN(CC(C)(C)C)C4)cc3c2)cn1
InChIInChI=1S/C23H28N4O.C22H26N4O.2C21H24N4O.C20H22N4O.C19H20N4O.C19H19N3O/c1-23(2,3)15-27-13-20(14-27)22(28)9-21-8-18-7-16(5-6-17(18)10-24-21)19-11-25-26(4)12-19;1-15(2)11-26-13-20(14-26)22(27)8-21-7-18-6-16(4-5-17(18)9-23-21)19-10-24-25(3)12-19;1-14(2)25-12-19(13-25)21(26)8-20-7-17-6-15(4-5-16(17)9-22-20)18-10-23-24(3)11-18;1-3-6-25-13-19(14-25)21(26)9-20-8-17-7-15(4-5-16(17)10-22-20)18-11-23-24(2)12-18;1-3-24-12-18(13-24)20(25)8-19-7-16-6-14(4-5-15(16)9-21-19)17-10-22-23(2)11-17;1-22-10-17(11-22)19(24)7-18-6-15-5-13(3-4-14(15)8-20-18)16-9-21-23(2)12-16;1-22-12-17(11-21-22)14-5-6-15-10-20-18(8-16(15)7-14)9-19(23)13-3-2-4-13/h5-8,10-12,20H,9,13-15H2,1-4H3;4-7,9-10,12,15,20H,8,11,13-14H2,1-3H3;4-7,9-11,14,19H,8,12-13H2,1-3H3;4-5,7-8,10-12,19H,3,6,9,13-14H2,1-2H3;4-7,9-11,18H,3,8,12-13H2,1-2H3;3-6,8-9,12,17H,7,10-11H2,1-2H3;5-8,10-13H,2-4,9H2,1H3
InChIKeyLBCMYJGJWLKRMU-UHFFFAOYSA-N
MW2396.08 g/mol
LogP21.79
Rot. Bonds35

About 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone

1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone (PubChem CID 159299180) has the molecular formula C145H163N27O7 and a molecular weight of 2396.08 g/mol. Its IUPAC name is 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone
PubChem CID159299180
Molecular FormulaC145H163N27O7
Molecular Weight2396.08 g/mol
Exact Mass2394.32
IUPAC Name1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone
SMILESCC(C)CN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)N1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCCN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CN(CC(C)(C)C)C4)cc3c2)cn1
InChIInChI=1S/C23H28N4O.C22H26N4O.2C21H24N4O.C20H22N4O.C19H20N4O.C19H19N3O/c1-23(2,3)15-27-13-20(14-27)22(28)9-21-8-18-7-16(5-6-17(18)10-24-21)19-11-25-26(4)12-19;1-15(2)11-26-13-20(14-26)22(27)8-21-7-18-6-16(4-5-17(18)9-23-21)19-10-24-25(3)12-19;1-14(2)25-12-19(13-25)21(26)8-20-7-17-6-15(4-5-16(17)9-22-20)18-10-23-24(3)11-18;1-3-6-25-13-19(14-25)21(26)9-20-8-17-7-15(4-5-16(17)10-22-20)18-11-23-24(2)12-18;1-3-24-12-18(13-24)20(25)8-19-7-16-6-14(4-5-15(16)9-21-19)17-10-22-23(2)11-17;1-22-10-17(11-22)19(24)7-18-6-15-5-13(3-4-14(15)8-20-18)16-9-21-23(2)12-16;1-22-12-17(11-21-22)14-5-6-15-10-20-18(8-16(15)7-14)9-19(23)13-3-2-4-13/h5-8,10-12,20H,9,13-15H2,1-4H3;4-7,9-10,12,15,20H,8,11,13-14H2,1-3H3;4-7,9-11,14,19H,8,12-13H2,1-3H3;4-5,7-8,10-12,19H,3,6,9,13-14H2,1-2H3;4-7,9-11,18H,3,8,12-13H2,1-2H3;3-6,8-9,12,17H,7,10-11H2,1-2H3;5-8,10-13H,2-4,9H2,1H3
InChIKeyLBCMYJGJWLKRMU-UHFFFAOYSA-N
XLogP21.79
TPSA353.90 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002396.08
LogP ≤ 521.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[7-[(3,3-Difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(4,4-difluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[(3-fluoropiperidin-1-yl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone;1-[4-(1-methylpyrazol-4-yl)-7-[[4-(trifluoromethyl)piperidin-1-yl]methyl]quinolin-2-yl]ethanone
CID 159645501
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-[3-(dimethylamino)azetidin-1-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-(1-methyl-3,6-dihydro-2H-pyridin-4-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-[2-[4-[1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethenyl]piperazin-1-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 157117589
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
N-[azetidin-3-yl(phenyl)methyl]isoquinoline-6-carboxamide;N-[(1-methylazetidin-3-yl)-phenylmethyl]isoquinoline-6-carboxamide;N-[(S)-(1-methylpyrrolidin-3-yl)-phenylmethyl]isoquinoline-6-carboxamide;N-[(R)-(1-methylpyrrolidin-3-yl)-phenylmethyl]isoquinoline-6-carboxamide;N-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide;N-[(S)-phenyl-[(3S)-pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide;N-[(R)-phenyl-[(3R)-pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide;N-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methyl]isoquinoline-6-carboxamide
CID 157849182
1-(2-methyl-2-azaspiro[3.3]heptan-6-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;1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azepan-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1,1,2,3,3-pentadeuterio-2-(trideuteriomethyl)butyl]piperidine-4-carboxamide;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
CID 157916224
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-[1-(1-Ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propylpiperidin-4-yl)triazol-4-yl]ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 158214707
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
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone?
The IUPAC name of 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone (CID 159299180) is 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone.
What is the SMILES notation for 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone?
The canonical SMILES for 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone is CC(C)CN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CC(C)N1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCCN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CN1CC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CN(CC(C)(C)C)C4)cc3c2)cn1.
What is the InChIKey of 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone?
The InChIKey is LBCMYJGJWLKRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.C22H26N4O.2C21H24N4O.C20H22N4O.C19H20N4O.C19H19N3O/c1-23(2,3)15-27-13-20(14-27)22(28)9-21-8-18-7-16(5-6-17(18)10-24-21)19-11-25-26(4)12-19;1-15(2)11-26-13-20(14-26)22(27)8-21-7-18-6-16(4-5-17(18)9-23-21)19-10-24-25(3)12-19;1-14(2)25-12-19(13-25)21(26)8-20-7-17-6-15(4-5-16(17)9-22-20)18-10-23-24(3)11-18;1-3-6-25-13-19(14-25)21(26)9-20-8-17-7-15(4-5-16(17)10-22-20)18-11-23-24(2)12-18;1-3-24-12-18(13-24)20(25)8-19-7-16-6-14(4-5-15(16)9-21-19)17-10-22-23(2)11-17;1-22-10-17(11-22)19(24)7-18-6-15-5-13(3-4-14(15)8-20-18)16-9-21-23(2)12-16;1-22-12-17(11-21-22)14-5-6-15-10-20-18(8-16(15)7-14)9-19(23)13-3-2-4-13/h5-8,10-12,20H,9,13-15H2,1-4H3;4-7,9-10,12,15,20H,8,11,13-14H2,1-3H3;4-7,9-11,14,19H,8,12-13H2,1-3H3;4-5,7-8,10-12,19H,3,6,9,13-14H2,1-2H3;4-7,9-11,18H,3,8,12-13H2,1-2H3;3-6,8-9,12,17H,7,10-11H2,1-2H3;5-8,10-13H,2-4,9H2,1H3.
What are the key properties of 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone?
1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone has a molecular weight of 2396.08 g/mol, XLogP of 21.79, 35 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-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-ethylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)azetidin-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-ylazetidin-3-yl)ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylazetidin-3-yl)ethanone is sourced from PubChem (CID 159299180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).