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

C171H193N29O12 — CID 158045262

IUPAC1-(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
SMILESCC(C)OCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.COCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C5CCC5)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@@H]4CCCO4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@H]4CCCO4)cc3c2)cn1
InChIInChI=1S/C24H30N4O2.C23H26N4O.C22H26N4O2.C22H26N4O.C21H24N4O.C21H23N3O.2C19H19N3O2/c1-17(2)30-9-8-28-7-6-20(16-28)24(29)12-23-11-21-10-18(4-5-19(21)13-25-23)22-14-26-27(3)15-22;1-26-14-20(13-25-26)16-5-6-17-12-24-21(10-19(17)9-16)11-23(28)18-7-8-27(15-18)22-3-2-4-22;1-25-14-20(13-24-25)16-3-4-17-12-23-21(10-19(17)9-16)11-22(27)18-5-6-26(15-18)7-8-28-2;1-3-26-8-6-16(7-9-26)22(27)12-21-11-19-10-17(4-5-18(19)13-23-21)20-14-24-25(2)15-20;1-24-7-5-15(6-8-24)21(26)11-20-10-18-9-16(3-4-17(18)12-22-20)19-13-23-25(2)14-19;1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15;2*1-22-12-16(11-21-22)13-4-5-14-10-20-17(8-15(14)7-13)9-18(23)19-3-2-6-24-19/h4-5,10-11,13-15,17,20H,6-9,12,16H2,1-3H3;5-6,9-10,12-14,18,22H,2-4,7-8,11,15H2,1H3;3-4,9-10,12-14,18H,5-8,11,15H2,1-2H3;4-5,10-11,13-16H,3,6-9,12H2,1-2H3;3-4,9-10,12-15H,5-8,11H2,1-2H3;7-10,12-15H,2-6,11H2,1H3;2*4-5,7-8,10-12,19H,2-3,6,9H2,1H3/t;;;;;;2*19-/m......10/s1
InChIKeyFIVFZZALGVBRED-SSYQZUHDSA-N
MW2846.62 g/mol
LogP26.58
Rot. Bonds41

About 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

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 (PubChem CID 158045262) has the molecular formula C171H193N29O12 and a molecular weight of 2846.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158045262
Molecular FormulaC171H193N29O12
Molecular Weight2846.62 g/mol
Exact Mass2844.54
IUPAC Name1-(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
SMILESCC(C)OCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.COCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C5CCC5)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@@H]4CCCO4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@H]4CCCO4)cc3c2)cn1
InChIInChI=1S/C24H30N4O2.C23H26N4O.C22H26N4O2.C22H26N4O.C21H24N4O.C21H23N3O.2C19H19N3O2/c1-17(2)30-9-8-28-7-6-20(16-28)24(29)12-23-11-21-10-18(4-5-19(21)13-25-23)22-14-26-27(3)15-22;1-26-14-20(13-25-26)16-5-6-17-12-24-21(10-19(17)9-16)11-23(28)18-7-8-27(15-18)22-3-2-4-22;1-25-14-20(13-24-25)16-3-4-17-12-23-21(10-19(17)9-16)11-22(27)18-5-6-26(15-18)7-8-28-2;1-3-26-8-6-16(7-9-26)22(27)12-21-11-19-10-17(4-5-18(19)13-23-21)20-14-24-25(2)15-20;1-24-7-5-15(6-8-24)21(26)11-20-10-18-9-16(3-4-17(18)12-22-20)19-13-23-25(2)14-19;1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15;2*1-22-12-16(11-21-22)13-4-5-14-10-20-17(8-15(14)7-13)9-18(23)19-3-2-6-24-19/h4-5,10-11,13-15,17,20H,6-9,12,16H2,1-3H3;5-6,9-10,12-14,18,22H,2-4,7-8,11,15H2,1H3;3-4,9-10,12-14,18H,5-8,11,15H2,1-2H3;4-5,10-11,13-16H,3,6-9,12H2,1-2H3;3-4,9-10,12-15H,5-8,11H2,1-2H3;7-10,12-15H,2-6,11H2,1H3;2*4-5,7-8,10-12,19H,2-3,6,9H2,1H3/t;;;;;;2*19-/m......10/s1
InChIKeyFIVFZZALGVBRED-SSYQZUHDSA-N
XLogP26.58
TPSA435.36 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds41
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002846.62
LogP ≤ 526.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 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 with MolForge

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Related Compounds

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-(4-butylcyclohexyl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-butylcyclohexyl)-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(3-fluorobutyl)cyclohexyl]-2-[8-fluoro-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(3-fluorobutyl)cyclohexyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(3-fluorobutyl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[(3R)-3-fluoro-4-(3-methoxypropyl)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(3-methoxypropyl)cyclohexyl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(3-methoxypropyl)cyclohexyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone;1-[4-(3-methoxypropyl)piperidin-1-yl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-yl]ethanone
CID 158438144
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-(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
2-[6-(1-Methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-piperidin-4-ylethanone;oxetan-3-one
CID 159017474
1-[1-(2,2-Dimethylpropyl)-3-fluoroazetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-ethyl-3-fluoroazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-1-(2-fluoropropyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(3-fluoro-1-methylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(3-fluoro-1-propan-2-ylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(3-fluoro-1-propylazetidin-3-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 159067282
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
1-[1-(1-Cyclopropylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]ethanone;propan-2-yl 4-[4-[2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 159403822
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;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-[1,1,2,3,3-pentadeuterio-2-(trideuteriomethyl)butyl]piperidin-4-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone
CID 159475290

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)OCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.CCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1.COCCN1CCC(C(=O)Cc2cc3cc(-c4cnn(C)c4)ccc3cn2)C1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCCCC4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)C4CCN(C5CCC5)C4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@@H]4CCCO4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(CC(=O)[C@H]4CCCO4)cc3c2)cn1.
What is the InChIKey of 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?
The InChIKey is FIVFZZALGVBRED-SSYQZUHDSA-N. The full InChI is InChI=1S/C24H30N4O2.C23H26N4O.C22H26N4O2.C22H26N4O.C21H24N4O.C21H23N3O.2C19H19N3O2/c1-17(2)30-9-8-28-7-6-20(16-28)24(29)12-23-11-21-10-18(4-5-19(21)13-25-23)22-14-26-27(3)15-22;1-26-14-20(13-25-26)16-5-6-17-12-24-21(10-19(17)9-16)11-23(28)18-7-8-27(15-18)22-3-2-4-22;1-25-14-20(13-24-25)16-3-4-17-12-23-21(10-19(17)9-16)11-22(27)18-5-6-26(15-18)7-8-28-2;1-3-26-8-6-16(7-9-26)22(27)12-21-11-19-10-17(4-5-18(19)13-23-21)20-14-24-25(2)15-20;1-24-7-5-15(6-8-24)21(26)11-20-10-18-9-16(3-4-17(18)12-22-20)19-13-23-25(2)14-19;1-24-14-19(13-23-24)16-7-8-17-12-22-20(10-18(17)9-16)11-21(25)15-5-3-2-4-6-15;2*1-22-12-16(11-21-22)13-4-5-14-10-20-17(8-15(14)7-13)9-18(23)19-3-2-6-24-19/h4-5,10-11,13-15,17,20H,6-9,12,16H2,1-3H3;5-6,9-10,12-14,18,22H,2-4,7-8,11,15H2,1H3;3-4,9-10,12-14,18H,5-8,11,15H2,1-2H3;4-5,10-11,13-16H,3,6-9,12H2,1-2H3;3-4,9-10,12-15H,5-8,11H2,1-2H3;7-10,12-15H,2-6,11H2,1H3;2*4-5,7-8,10-12,19H,2-3,6,9H2,1H3/t;;;;;;2*19-/m......10/s1.
What are the key properties of 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?
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 has a molecular weight of 2846.62 g/mol, XLogP of 26.58, 41 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158045262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).