1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C200H215N39O10 — CID 157061367

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCC1Cc2ccccc2CN1CC(O)CNc1cccc(-c2ccc3ncn(C)c3c2)c1.Cn1cc2cc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ccc2n1.Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3ccnc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cnc2ccc(-c3ccnc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3cncc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3nccc(NCC(O)CN4CCc5ccccc5C4)n3)cc21
InChIInChI=1S/C27H30N4O.C26H27N3O2.2C25H27N5O.C25H26N4O2.3C24H26N6O/c1-19-12-20-6-3-4-7-23(20)16-31(19)17-25(32)15-28-24-9-5-8-21(13-24)22-10-11-26-27(14-22)30(2)18-29-26;1-28-15-23-13-21(9-10-26(23)27-28)20-7-4-8-25(14-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29;1-29-17-27-23-10-9-19(13-24(23)29)22-7-4-8-25(28-22)26-14-21(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30;1-28-11-9-20-14-26-24(27-25(20)28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-10-18-5-2-3-6-21(18)15-29;1-29-16-27-22-7-6-18(12-23(22)29)21-8-10-25-24(28-21)26-13-20(31)15-30-11-9-17-4-2-3-5-19(17)14-30;1-29-16-27-21-7-6-18(12-22(21)29)24-25-10-8-23(28-24)26-13-20(31)15-30-11-9-17-4-2-3-5-19(17)14-30;1-29-16-27-21-7-6-18(10-23(21)29)22-12-25-13-24(28-22)26-11-20(31)15-30-9-8-17-4-2-3-5-19(17)14-30/h3-11,13-14,18-19,25,28,32H,12,15-17H2,1-2H3;2-10,13-15,24,30H,11-12,16-18H2,1H3;2-10,13,17,21,31H,11-12,14-16H2,1H3,(H,26,28);2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27);2-9,11,13-14,22,30H,10,12,15-17H2,1H3;2*2-8,10,12,16,20,31H,9,11,13-15H2,1H3,(H,25,26,28);2-7,10,12-13,16,20,31H,8-9,11,14-15H2,1H3,(H,26,28)
InChIKeyABJHLSJTJAULGK-UHFFFAOYSA-N
MW3325.18 g/mol
LogP27.45
Rot. Bonds48

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 157061367) has the molecular formula C200H215N39O10 and a molecular weight of 3325.18 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
PubChem CID157061367
Molecular FormulaC200H215N39O10
Molecular Weight3325.18 g/mol
Exact Mass3322.75
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
SMILESCC1Cc2ccccc2CN1CC(O)CNc1cccc(-c2ccc3ncn(C)c3c2)c1.Cn1cc2cc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ccc2n1.Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3ccnc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cnc2ccc(-c3ccnc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3cncc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3nccc(NCC(O)CN4CCc5ccccc5C4)n3)cc21
InChIInChI=1S/C27H30N4O.C26H27N3O2.2C25H27N5O.C25H26N4O2.3C24H26N6O/c1-19-12-20-6-3-4-7-23(20)16-31(19)17-25(32)15-28-24-9-5-8-21(13-24)22-10-11-26-27(14-22)30(2)18-29-26;1-28-15-23-13-21(9-10-26(23)27-28)20-7-4-8-25(14-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29;1-29-17-27-23-10-9-19(13-24(23)29)22-7-4-8-25(28-22)26-14-21(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30;1-28-11-9-20-14-26-24(27-25(20)28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-10-18-5-2-3-6-21(18)15-29;1-29-16-27-22-7-6-18(12-23(22)29)21-8-10-25-24(28-21)26-13-20(31)15-30-11-9-17-4-2-3-5-19(17)14-30;1-29-16-27-21-7-6-18(12-22(21)29)24-25-10-8-23(28-24)26-13-20(31)15-30-11-9-17-4-2-3-5-19(17)14-30;1-29-16-27-21-7-6-18(10-23(21)29)22-12-25-13-24(28-22)26-11-20(31)15-30-9-8-17-4-2-3-5-19(17)14-30/h3-11,13-14,18-19,25,28,32H,12,15-17H2,1-2H3;2-10,13-15,24,30H,11-12,16-18H2,1H3;2-10,13,17,21,31H,11-12,14-16H2,1H3,(H,26,28);2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27);2-9,11,13-14,22,30H,10,12,15-17H2,1H3;2*2-8,10,12,16,20,31H,9,11,13-15H2,1H3,(H,25,26,28);2-7,10,12-13,16,20,31H,8-9,11,14-15H2,1H3,(H,26,28)
InChIKeyABJHLSJTJAULGK-UHFFFAOYSA-N
XLogP27.45
TPSA536.97 Ų
H-Bond Donors14
H-Bond Acceptors49
Rotatable Bonds48
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003325.18
LogP ≤ 527.45
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1049

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol with MolForge

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Related Compounds

N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
N-[[5-[1-[1-[2-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-indol-4-yl]phenoxy]ethyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-2-yl]indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
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N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145249347
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
8-(1-cyclopropylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
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1-Tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
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CID 157523316
CID 157523316
3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[3-cyclopropyl-1-[7-(1-methylpyrrol-3-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
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4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
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4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
CID 158423032
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
CID 158501644
1-[3-[2,4-bis(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 158788602

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 157061367) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is CC1Cc2ccccc2CN1CC(O)CNc1cccc(-c2ccc3ncn(C)c3c2)c1.Cn1cc2cc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ccc2n1.Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3ccnc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cnc2ccc(-c3ccnc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3cncc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.Cn1cnc2ccc(-c3nccc(NCC(O)CN4CCc5ccccc5C4)n3)cc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
The InChIKey is ABJHLSJTJAULGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O.C26H27N3O2.2C25H27N5O.C25H26N4O2.3C24H26N6O/c1-19-12-20-6-3-4-7-23(20)16-31(19)17-25(32)15-28-24-9-5-8-21(13-24)22-10-11-26-27(14-22)30(2)18-29-26;1-28-15-23-13-21(9-10-26(23)27-28)20-7-4-8-25(14-20)31-18-24(30)17-29-12-11-19-5-2-3-6-22(19)16-29;1-29-17-27-23-10-9-19(13-24(23)29)22-7-4-8-25(28-22)26-14-21(31)16-30-12-11-18-5-2-3-6-20(18)15-30;1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30;1-28-11-9-20-14-26-24(27-25(20)28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-10-18-5-2-3-6-21(18)15-29;1-29-16-27-22-7-6-18(12-23(22)29)21-8-10-25-24(28-21)26-13-20(31)15-30-11-9-17-4-2-3-5-19(17)14-30;1-29-16-27-21-7-6-18(12-22(21)29)24-25-10-8-23(28-24)26-13-20(31)15-30-11-9-17-4-2-3-5-19(17)14-30;1-29-16-27-21-7-6-18(10-23(21)29)22-12-25-13-24(28-22)26-11-20(31)15-30-9-8-17-4-2-3-5-19(17)14-30/h3-11,13-14,18-19,25,28,32H,12,15-17H2,1-2H3;2-10,13-15,24,30H,11-12,16-18H2,1H3;2-10,13,17,21,31H,11-12,14-16H2,1H3,(H,26,28);2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27);2-9,11,13-14,22,30H,10,12,15-17H2,1H3;2*2-8,10,12,16,20,31H,9,11,13-15H2,1H3,(H,25,26,28);2-7,10,12-13,16,20,31H,8-9,11,14-15H2,1H3,(H,26,28).
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 3325.18 g/mol, XLogP of 27.45, 48 rotatable bonds, 14 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;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-[[6-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylindazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)anilino]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 157061367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).