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

C178H186F2N32O10 — CID 158259596

IUPAC1-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
SMILESCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC(F)(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC2(CC1)CC(C(=O)Cc1cc3cc(-c4cn[nH]c4)ccc3cn1)C2.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCN1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCO1
InChIInChI=1S/C23H26N4O.C21H23FN4O.C20H21FN4O.C20H22N4O.2C20H21N3O.C18H18N4O.C18H17N3O2.C18H17N3O/c1-27-6-4-23(5-7-27)11-19(12-23)22(28)10-21-9-18-8-16(20-14-25-26-15-20)2-3-17(18)13-24-21;1-2-26-7-5-21(22,6-8-26)20(27)11-19-10-17-9-15(18-13-24-25-14-18)3-4-16(17)12-23-19;1-25-6-4-20(21,5-7-25)19(26)10-18-9-16-8-14(17-12-23-24-13-17)2-3-15(16)11-22-18;1-24-6-4-14(5-7-24)20(25)10-19-9-17-8-15(18-12-22-23-13-18)2-3-16(17)11-21-19;2*24-20(14-4-2-1-3-5-14)10-19-9-17-8-15(18-12-22-23-13-18)6-7-16(17)11-21-19;23-18(17-2-1-5-19-17)8-16-7-14-6-12(15-10-21-22-11-15)3-4-13(14)9-20-16;22-17(18-2-1-5-23-18)8-16-7-14-6-12(15-10-20-21-11-15)3-4-13(14)9-19-16;22-18(12-2-1-3-12)8-17-7-15-6-13(16-10-20-21-11-16)4-5-14(15)9-19-17/h2-3,8-9,13-15,19H,4-7,10-12H2,1H3,(H,25,26);3-4,9-10,12-14H,2,5-8,11H2,1H3,(H,24,25);2-3,8-9,11-13H,4-7,10H2,1H3,(H,23,24);2-3,8-9,11-14H,4-7,10H2,1H3,(H,22,23);2*6-9,11-14H,1-5,10H2,(H,22,23);3-4,6-7,9-11,17,19H,1-2,5,8H2,(H,21,22);3-4,6-7,9-11,18H,1-2,5,8H2,(H,20,21);4-7,9-12H,1-3,8H2,(H,20,21)/t;;;;;;17-;18-;/m......11./s1
InChIKeyGHSFYAHMRCOITQ-SYDANXMDSA-N
MW2971.66 g/mol
LogP31.24
Rot. Bonds37

About 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

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 (PubChem CID 158259596) has the molecular formula C178H186F2N32O10 and a molecular weight of 2971.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158259596
Molecular FormulaC178H186F2N32O10
Molecular Weight2971.66 g/mol
Exact Mass2969.50
IUPAC Name1-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
SMILESCCN1CCC(F)(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC(F)(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC2(CC1)CC(C(=O)Cc1cc3cc(-c4cn[nH]c4)ccc3cn1)C2.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCN1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCO1
InChIInChI=1S/C23H26N4O.C21H23FN4O.C20H21FN4O.C20H22N4O.2C20H21N3O.C18H18N4O.C18H17N3O2.C18H17N3O/c1-27-6-4-23(5-7-27)11-19(12-23)22(28)10-21-9-18-8-16(20-14-25-26-15-20)2-3-17(18)13-24-21;1-2-26-7-5-21(22,6-8-26)20(27)11-19-10-17-9-15(18-13-24-25-14-18)3-4-16(17)12-23-19;1-25-6-4-20(21,5-7-25)19(26)10-18-9-16-8-14(17-12-23-24-13-17)2-3-15(16)11-22-18;1-24-6-4-14(5-7-24)20(25)10-19-9-17-8-15(18-12-22-23-13-18)2-3-16(17)11-21-19;2*24-20(14-4-2-1-3-5-14)10-19-9-17-8-15(18-12-22-23-13-18)6-7-16(17)11-21-19;23-18(17-2-1-5-19-17)8-16-7-14-6-12(15-10-21-22-11-15)3-4-13(14)9-20-16;22-17(18-2-1-5-23-18)8-16-7-14-6-12(15-10-20-21-11-15)3-4-13(14)9-19-16;22-18(12-2-1-3-12)8-17-7-15-6-13(16-10-20-21-11-16)4-5-14(15)9-19-17/h2-3,8-9,13-15,19H,4-7,10-12H2,1H3,(H,25,26);3-4,9-10,12-14H,2,5-8,11H2,1H3,(H,24,25);2-3,8-9,11-13H,4-7,10H2,1H3,(H,23,24);2-3,8-9,11-14H,4-7,10H2,1H3,(H,22,23);2*6-9,11-14H,1-5,10H2,(H,22,23);3-4,6-7,9-11,17,19H,1-2,5,8H2,(H,21,22);3-4,6-7,9-11,18H,1-2,5,8H2,(H,20,21);4-7,9-12H,1-3,8H2,(H,20,21)/t;;;;;;17-;18-;/m......11./s1
InChIKeyGHSFYAHMRCOITQ-SYDANXMDSA-N
XLogP31.24
TPSA561.98 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds37
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002971.66
LogP ≤ 531.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze 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 with MolForge

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Related Compounds

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
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
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-cyclobutyl-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-cyclohexyl-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;1-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[(2R)-1-methylpyrrolidin-2-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-propyl-2-azaspiro[3.3]heptan-6-yl)ethanone;2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-[(2R)-pyrrolidin-2-yl]ethanone
CID 159568811
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
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-cyclobutylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(1-propylpiperidin-4-yl)-2-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 160415228
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC(F)(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC(F)(C(=O)Cc2cc3cc(-c4cn[nH]c4)ccc3cn2)CC1.CN1CCC2(CC1)CC(C(=O)Cc1cc3cc(-c4cn[nH]c4)ccc3cn1)C2.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)C1CCCCC1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCN1.O=C(Cc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CCCO1.
What is the InChIKey of 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?
The InChIKey is GHSFYAHMRCOITQ-SYDANXMDSA-N. The full InChI is InChI=1S/C23H26N4O.C21H23FN4O.C20H21FN4O.C20H22N4O.2C20H21N3O.C18H18N4O.C18H17N3O2.C18H17N3O/c1-27-6-4-23(5-7-27)11-19(12-23)22(28)10-21-9-18-8-16(20-14-25-26-15-20)2-3-17(18)13-24-21;1-2-26-7-5-21(22,6-8-26)20(27)11-19-10-17-9-15(18-13-24-25-14-18)3-4-16(17)12-23-19;1-25-6-4-20(21,5-7-25)19(26)10-18-9-16-8-14(17-12-23-24-13-17)2-3-15(16)11-22-18;1-24-6-4-14(5-7-24)20(25)10-19-9-17-8-15(18-12-22-23-13-18)2-3-16(17)11-21-19;2*24-20(14-4-2-1-3-5-14)10-19-9-17-8-15(18-12-22-23-13-18)6-7-16(17)11-21-19;23-18(17-2-1-5-19-17)8-16-7-14-6-12(15-10-21-22-11-15)3-4-13(14)9-20-16;22-17(18-2-1-5-23-18)8-16-7-14-6-12(15-10-20-21-11-15)3-4-13(14)9-19-16;22-18(12-2-1-3-12)8-17-7-15-6-13(16-10-20-21-11-16)4-5-14(15)9-19-17/h2-3,8-9,13-15,19H,4-7,10-12H2,1H3,(H,25,26);3-4,9-10,12-14H,2,5-8,11H2,1H3,(H,24,25);2-3,8-9,11-13H,4-7,10H2,1H3,(H,23,24);2-3,8-9,11-14H,4-7,10H2,1H3,(H,22,23);2*6-9,11-14H,1-5,10H2,(H,22,23);3-4,6-7,9-11,17,19H,1-2,5,8H2,(H,21,22);3-4,6-7,9-11,18H,1-2,5,8H2,(H,20,21);4-7,9-12H,1-3,8H2,(H,20,21)/t;;;;;;17-;18-;/m......11./s1.
What are the key properties of 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?
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 has a molecular weight of 2971.66 g/mol, XLogP of 31.24, 37 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158259596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).