2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one

C222H279F4N21O13 — CID 167635159

IUPAC2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one
SMILESC=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c(=O)n(C(C)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1ccnn1C.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.COc1ccc(C(C)C)c(C)n1.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ncoc1C(C)C.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C15H19F2NO.C15H18FNO.C15H19NO.C14H16FNO.2C14H17NO.C14H17N.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.3C11H14N2.C10H15NO.C7H12N2.C7H11NO/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;1-10(2)12-5-4-6-14-13(12)7-8-17(15(14)18)9-11(3)16;1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)11-5-4-6-13-12(11)7-8-16(10(3)15)14(13)17;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-7(2)9-5-6-10(12-4)11-8(9)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,10H,7-9H2,1-3H3;4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,1-4H3;4-6H,1-3H3;4-5H,1-3H3/i;;;;4D2;;;;;;;;;;;;;
InChIKeyOJHGXORPQKTJTQ-GFUZIYSUSA-N
MW3527.81 g/mol
LogP52.80
Rot. Bonds27

About 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one

2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one (PubChem CID 167635159) has the molecular formula C222H279F4N21O13 and a molecular weight of 3527.81 g/mol. Its IUPAC name is 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one
PubChem CID167635159
Molecular FormulaC222H279F4N21O13
Molecular Weight3527.81 g/mol
Exact Mass3525.19
IUPAC Name2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one
SMILESC=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c(=O)n(C(C)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1ccnn1C.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.COc1ccc(C(C)C)c(C)n1.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ncoc1C(C)C.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C15H19F2NO.C15H18FNO.C15H19NO.C14H16FNO.2C14H17NO.C14H17N.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.3C11H14N2.C10H15NO.C7H12N2.C7H11NO/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;1-10(2)12-5-4-6-14-13(12)7-8-17(15(14)18)9-11(3)16;1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)11-5-4-6-13-12(11)7-8-16(10(3)15)14(13)17;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-7(2)9-5-6-10(12-4)11-8(9)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,10H,7-9H2,1-3H3;4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,1-4H3;4-6H,1-3H3;4-5H,1-3H3/i;;;;4D2;;;;;;;;;;;;;
InChIKeyOJHGXORPQKTJTQ-GFUZIYSUSA-N
XLogP52.80
TPSA375.18 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003527.81
LogP ≤ 552.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Analyze 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
N-cyclopropyl-5-[5-[[4-[2-[4-[2-[[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-3-[3-methoxy-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoyl]phenyl]-1,2,4-triazol-1-yl]methyl]cyclopropyl]-5-[[2-methyl-5-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-1,2,4-triazol-3-yl]amino]-1H-indazol-7-yl]cyclopropyl]-1H-indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-3-methoxypyridine-2-carboxamide
CID 156060839
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrazole-5-carbonylamino)propyl]-1H-pyrazole-5-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 157055832
CID 157119212
CID 157119212
5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[2-(4-methylphenyl)-1,3-oxazol-5-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(2-methoxy-5H-cyclopenta[b]pyridin-7-yl)-4-[2-(4-methylphenyl)-1,3-oxazol-5-yl]pentan-2-one;7-[5-(3,5-difluorophenyl)-4-[2-(4-methylphenyl)-1,3-oxazol-5-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-(3,5-difluorophenyl)-4-[2-(4-methylphenyl)-1,3-oxazol-5-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 157728060
1-(3-tert-butyl-2-methylphenyl)pyrazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 157760955
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;2,3-dimethyl-1-(2-methylphenyl)pyrazol-1-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium
CID 158510048
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 158594192
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159543739

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one?
The IUPAC name of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one (CID 167635159) is 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one.
What is the SMILES notation for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one?
The canonical SMILES for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one is C=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1cccc2c(=O)n(C(C)C)ccc12.CC(C)c1cccc2c(=O)n(C(C)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2cnn(C)c12.CC(C)c1cccc2ncn(C)c12.CC(C)c1ccnn1C.CC(F)Cn1ccc2c(C(C)C)cccc2c1=O.CCn1ccc2c(C(C)C)cccc2c1=O.COc1ccc(C(C)C)c(C)n1.Cc1[nH]nc2cccc(C(C)C)c12.Cc1ncoc1C(C)C.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O.
What is the InChIKey of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one?
The InChIKey is OJHGXORPQKTJTQ-GFUZIYSUSA-N. The full InChI is InChI=1S/C15H19F2NO.C15H18FNO.C15H19NO.C14H16FNO.2C14H17NO.C14H17N.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.3C11H14N2.C10H15NO.C7H12N2.C7H11NO/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;1-10(2)12-5-4-6-14-13(12)7-8-17(15(14)18)9-11(3)16;1-10(2)12-6-5-7-14-13(12)8-9-16(11(3)4)15(14)17;1-9(2)11-5-4-6-13-12(11)7-8-16(10(3)15)14(13)17;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;1-8(2)9-5-4-6-10-11(9)13(3)7-12-10;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-7(2)9-5-4-6-10-11(9)8(3)12-13-10;1-7(2)9-5-6-10(12-4)11-8(9)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,10H,7-9H2,1-3H3;4-8,10-11H,9H2,1-3H3;5-11H,1-4H3;4-10H,1-3H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);5-7H,1-4H3;4-6H,1-3H3;4-5H,1-3H3/i;;;;4D2;;;;;;;;;;;;;.
What are the key properties of 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one?
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one has a molecular weight of 3527.81 g/mol, XLogP of 52.80, 27 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one is sourced from PubChem (CID 167635159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).