1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol

C182H201N33O13 — CID 162007580

IUPAC1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol
SMILESCN(C(=O)c1cccnc1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cncn1C)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CNC(=O)Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21.Cn1ncc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21.OC(CNc1cccc(-c2ccc3ncn(C4CCC4)c3c2)c1)CN1CCc2ccccc2C1.OC(CNc1cccc(-c2ccc3ncn(C4CCNC4)c3c2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C29H33N5O.C29H32N4O.C27H29N5O3.C25H27N3O3.2C24H26N6O.C24H28N4O3/c35-27(19-33-13-11-21-4-1-2-5-24(21)18-33)17-31-25-7-3-6-22(14-25)23-8-9-28-29(15-23)34(20-32-28)26-10-12-30-16-26;34-27(19-32-14-13-21-5-1-2-6-24(21)18-32)17-30-25-8-3-7-22(15-25)23-11-12-28-29(16-23)33(20-31-28)26-9-4-10-26;1-28-25(34)17-32-12-10-21-14-29-26(30-27(21)32)20-7-4-8-24(13-20)35-18-23(33)16-31-11-9-19-5-2-3-6-22(19)15-31;1-27(25(30)20-8-5-12-26-15-20)22-9-4-10-24(14-22)31-18-23(29)17-28-13-11-19-6-2-3-7-21(19)16-28;1-29-23-10-18(6-7-19(23)12-28-29)22-11-24(27-16-26-22)25-13-21(31)15-30-9-8-17-4-2-3-5-20(17)14-30;1-29-16-28-21-7-6-18(10-23(21)29)22-11-24(27-15-26-22)25-12-20(31)14-30-9-8-17-4-2-3-5-19(17)13-30;1-26-17-25-13-23(26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)15-28-11-10-18-6-3-4-7-19(18)14-28/h1-9,14-15,20,26-27,30-31,35H,10-13,16-19H2;1-3,5-8,11-12,15-16,20,26-27,30,34H,4,9-10,13-14,17-19H2;2-8,10,12-14,23,33H,9,11,15-18H2,1H3,(H,28,34);2-10,12,14-15,23,29H,11,13,16-18H2,1H3;2-7,10-12,16,21,31H,8-9,13-15H2,1H3,(H,25,26,27);2-7,10-11,15-16,20,31H,8-9,12-14H2,1H3,(H,25,26,27);3-9,12-13,17,21,29H,10-11,14-16H2,1-2H3
InChIKeyYTASGYKERCYIRP-UHFFFAOYSA-N
MW3058.83 g/mol
LogP23.34
Rot. Bonds48

About 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol

1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol (PubChem CID 162007580) has the molecular formula C182H201N33O13 and a molecular weight of 3058.83 g/mol. Its IUPAC name is 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol
PubChem CID162007580
Molecular FormulaC182H201N33O13
Molecular Weight3058.83 g/mol
Exact Mass3056.61
IUPAC Name1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol
SMILESCN(C(=O)c1cccnc1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cncn1C)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CNC(=O)Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21.Cn1ncc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21.OC(CNc1cccc(-c2ccc3ncn(C4CCC4)c3c2)c1)CN1CCc2ccccc2C1.OC(CNc1cccc(-c2ccc3ncn(C4CCNC4)c3c2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C29H33N5O.C29H32N4O.C27H29N5O3.C25H27N3O3.2C24H26N6O.C24H28N4O3/c35-27(19-33-13-11-21-4-1-2-5-24(21)18-33)17-31-25-7-3-6-22(14-25)23-8-9-28-29(15-23)34(20-32-28)26-10-12-30-16-26;34-27(19-32-14-13-21-5-1-2-6-24(21)18-32)17-30-25-8-3-7-22(15-25)23-11-12-28-29(16-23)33(20-31-28)26-9-4-10-26;1-28-25(34)17-32-12-10-21-14-29-26(30-27(21)32)20-7-4-8-24(13-20)35-18-23(33)16-31-11-9-19-5-2-3-6-22(19)15-31;1-27(25(30)20-8-5-12-26-15-20)22-9-4-10-24(14-22)31-18-23(29)17-28-13-11-19-6-2-3-7-21(19)16-28;1-29-23-10-18(6-7-19(23)12-28-29)22-11-24(27-16-26-22)25-13-21(31)15-30-9-8-17-4-2-3-5-20(17)14-30;1-29-16-28-21-7-6-18(10-23(21)29)22-11-24(27-15-26-22)25-12-20(31)14-30-9-8-17-4-2-3-5-19(17)13-30;1-26-17-25-13-23(26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)15-28-11-10-18-6-3-4-7-19(18)14-28/h1-9,14-15,20,26-27,30-31,35H,10-13,16-19H2;1-3,5-8,11-12,15-16,20,26-27,30,34H,4,9-10,13-14,17-19H2;2-8,10,12-14,23,33H,9,11,15-18H2,1H3,(H,28,34);2-10,12,14-15,23,29H,11,13,16-18H2,1H3;2-7,10-12,16,21,31H,8-9,13-15H2,1H3,(H,25,26,27);2-7,10-11,15-16,20,31H,8-9,12-14H2,1H3,(H,25,26,27);3-9,12-13,17,21,29H,10-11,14-16H2,1-2H3
InChIKeyYTASGYKERCYIRP-UHFFFAOYSA-N
XLogP23.34
TPSA506.11 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds48
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003058.83
LogP ≤ 523.34
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Analyze 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol with MolForge

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Related Compounds

N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155449105
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157812885
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158066669
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
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158842506
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-[3-(3-methylbenzimidazol-5-yl)phenyl]acetamide;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxetan-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol
CID 159793119
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-[[6-(trifluoromethyl)-3-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 159904961
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-[2-(3H-pyrrol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159908285
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 159911479
2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[5-(1,1-difluoroethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-methyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159977829

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol?
The IUPAC name of 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol (CID 162007580) is 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol.
What is the SMILES notation for 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol?
The canonical SMILES for 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol is CN(C(=O)c1cccnc1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cncn1C)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CNC(=O)Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21.Cn1ncc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21.OC(CNc1cccc(-c2ccc3ncn(C4CCC4)c3c2)c1)CN1CCc2ccccc2C1.OC(CNc1cccc(-c2ccc3ncn(C4CCNC4)c3c2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol?
The InChIKey is YTASGYKERCYIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O.C29H32N4O.C27H29N5O3.C25H27N3O3.2C24H26N6O.C24H28N4O3/c35-27(19-33-13-11-21-4-1-2-5-24(21)18-33)17-31-25-7-3-6-22(14-25)23-8-9-28-29(15-23)34(20-32-28)26-10-12-30-16-26;34-27(19-32-14-13-21-5-1-2-6-24(21)18-32)17-30-25-8-3-7-22(15-25)23-11-12-28-29(16-23)33(20-31-28)26-9-4-10-26;1-28-25(34)17-32-12-10-21-14-29-26(30-27(21)32)20-7-4-8-24(13-20)35-18-23(33)16-31-11-9-19-5-2-3-6-22(19)15-31;1-27(25(30)20-8-5-12-26-15-20)22-9-4-10-24(14-22)31-18-23(29)17-28-13-11-19-6-2-3-7-21(19)16-28;1-29-23-10-18(6-7-19(23)12-28-29)22-11-24(27-16-26-22)25-13-21(31)15-30-9-8-17-4-2-3-5-20(17)14-30;1-29-16-28-21-7-6-18(10-23(21)29)22-11-24(27-15-26-22)25-12-20(31)14-30-9-8-17-4-2-3-5-19(17)13-30;1-26-17-25-13-23(26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)15-28-11-10-18-6-3-4-7-19(18)14-28/h1-9,14-15,20,26-27,30-31,35H,10-13,16-19H2;1-3,5-8,11-12,15-16,20,26-27,30,34H,4,9-10,13-14,17-19H2;2-8,10,12-14,23,33H,9,11,15-18H2,1H3,(H,28,34);2-10,12,14-15,23,29H,11,13,16-18H2,1H3;2-7,10-12,16,21,31H,8-9,13-15H2,1H3,(H,25,26,27);2-7,10-11,15-16,20,31H,8-9,12-14H2,1H3,(H,25,26,27);3-9,12-13,17,21,29H,10-11,14-16H2,1-2H3.
What are the key properties of 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol?
1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol has a molecular weight of 3058.83 g/mol, XLogP of 23.34, 48 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclobutylbenzimidazol-5-yl)anilino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)anilino]propan-2-ol is sourced from PubChem (CID 162007580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).