1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol

C202H231N37O10 — CID 158797263

IUPAC1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol
SMILESCN1CCC(n2cnc3ccc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)cc32)C1.CN1CCC(n2cnc3ccc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)cc32)CC1.Cn1ncc2cnc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.O=C(Cn1cnc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)cc21)N1CCCCC1.OC(CNc1cc(-c2ccc3ncn(C4CCOCC4)c3c2)ccn1)CN1CCc2ccccc2C1.OC(CNc1cc(-c2ncc3ccn(C4CCC4)c3n2)ccn1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ncc3ccn(C4CCCCC4)c3n2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C32H37N5O2.C30H36N6O.C30H34N4O2.C29H34N6O.C29H33N5O2.C27H30N6O.C25H27N5O/c38-29(21-35-16-13-24-7-2-3-8-27(24)20-35)19-33-28-10-6-9-25(17-28)26-11-12-30-31(18-26)37(23-34-30)22-32(39)36-14-4-1-5-15-36;1-34-13-10-26(11-14-34)36-21-33-28-7-6-23(16-29(28)36)24-8-12-31-30(17-24)32-18-27(37)20-35-15-9-22-4-2-3-5-25(22)19-35;35-27(20-33-15-13-22-7-4-5-8-25(22)19-33)21-36-28-12-6-9-23(17-28)29-31-18-24-14-16-34(30(24)32-29)26-10-2-1-3-11-26;1-33-12-10-25(18-33)35-20-32-27-7-6-22(14-28(27)35)23-8-11-30-29(15-23)31-16-26(36)19-34-13-9-21-4-2-3-5-24(21)17-34;35-26(19-33-12-8-21-3-1-2-4-24(21)18-33)17-31-29-16-23(7-11-30-29)22-5-6-27-28(15-22)34(20-32-27)25-9-13-36-14-10-25;34-24(18-32-12-9-19-4-1-2-5-22(19)17-32)16-29-25-14-20(8-11-28-25)26-30-15-21-10-13-33(27(21)31-26)23-6-3-7-23;1-29-25-12-24(27-13-21(25)14-28-29)19-7-4-8-22(11-19)26-15-23(31)17-30-10-9-18-5-2-3-6-20(18)16-30/h2-3,6-12,17-18,23,29,33,38H,1,4-5,13-16,19-22H2;2-8,12,16-17,21,26-27,37H,9-11,13-15,18-20H2,1H3,(H,31,32);4-9,12,14,16-18,26-27,35H,1-3,10-11,13,15,19-21H2;2-8,11,14-15,20,25-26,36H,9-10,12-13,16-19H2,1H3,(H,30,31);1-7,11,15-16,20,25-26,35H,8-10,12-14,17-19H2,(H,30,31);1-2,4-5,8,10-11,13-15,23-24,34H,3,6-7,9,12,16-18H2,(H,28,29);2-8,11-14,23,26,31H,9-10,15-17H2,1H3
InChIKeyITABGULPDMUXLX-UHFFFAOYSA-N
MW3337.32 g/mol
LogP29.75
Rot. Bonds49

About 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol

1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol (PubChem CID 158797263) has the molecular formula C202H231N37O10 and a molecular weight of 3337.32 g/mol. Its IUPAC name is 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol
PubChem CID158797263
Molecular FormulaC202H231N37O10
Molecular Weight3337.32 g/mol
Exact Mass3334.87
IUPAC Name1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol
SMILESCN1CCC(n2cnc3ccc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)cc32)C1.CN1CCC(n2cnc3ccc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)cc32)CC1.Cn1ncc2cnc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.O=C(Cn1cnc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)cc21)N1CCCCC1.OC(CNc1cc(-c2ccc3ncn(C4CCOCC4)c3c2)ccn1)CN1CCc2ccccc2C1.OC(CNc1cc(-c2ncc3ccn(C4CCC4)c3n2)ccn1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ncc3ccn(C4CCCCC4)c3n2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C32H37N5O2.C30H36N6O.C30H34N4O2.C29H34N6O.C29H33N5O2.C27H30N6O.C25H27N5O/c38-29(21-35-16-13-24-7-2-3-8-27(24)20-35)19-33-28-10-6-9-25(17-28)26-11-12-30-31(18-26)37(23-34-30)22-32(39)36-14-4-1-5-15-36;1-34-13-10-26(11-14-34)36-21-33-28-7-6-23(16-29(28)36)24-8-12-31-30(17-24)32-18-27(37)20-35-15-9-22-4-2-3-5-25(22)19-35;35-27(20-33-15-13-22-7-4-5-8-25(22)19-33)21-36-28-12-6-9-23(17-28)29-31-18-24-14-16-34(30(24)32-29)26-10-2-1-3-11-26;1-33-12-10-25(18-33)35-20-32-27-7-6-22(14-28(27)35)23-8-11-30-29(15-23)31-16-26(36)19-34-13-9-21-4-2-3-5-24(21)17-34;35-26(19-33-12-8-21-3-1-2-4-24(21)18-33)17-31-29-16-23(7-11-30-29)22-5-6-27-28(15-22)34(20-32-27)25-9-13-36-14-10-25;34-24(18-32-12-9-19-4-1-2-5-22(19)17-32)16-29-25-14-20(8-11-28-25)26-30-15-21-10-13-33(27(21)31-26)23-6-3-7-23;1-29-25-12-24(27-13-21(25)14-28-29)19-7-4-8-22(11-19)26-15-23(31)17-30-10-9-18-5-2-3-6-20(18)16-30/h2-3,6-12,17-18,23,29,33,38H,1,4-5,13-16,19-22H2;2-8,12,16-17,21,26-27,37H,9-11,13-15,18-20H2,1H3,(H,31,32);4-9,12,14,16-18,26-27,35H,1-3,10-11,13,15,19-21H2;2-8,11,14-15,20,25-26,36H,9-10,12-13,16-19H2,1H3,(H,30,31);1-7,11,15-16,20,25-26,35H,8-10,12-14,17-19H2,(H,30,31);1-2,4-5,8,10-11,13-15,23-24,34H,3,6-7,9,12,16-18H2,(H,28,29);2-8,11-14,23,26,31H,9-10,15-17H2,1H3
InChIKeyITABGULPDMUXLX-UHFFFAOYSA-N
XLogP29.75
TPSA496.69 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds49
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003337.32
LogP ≤ 529.75
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Analyze 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol with MolForge

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Related Compounds

2-[3-[6-[4-[2-[3-[6-[2-[[2-[3-[5-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]amino]propyl]-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]morpholin-2-yl]-4-[4-(1H-pyrazol-4-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227879
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
CID 158062262
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
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
CID 158977421
(2R,3R)-N-[(1R)-1-(3-but-2-ynoxy-4-pyrazol-1-ylphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-N-[(1R)-1-(3-methoxy-4-pyrazol-1-ylphenyl)ethyl]-2-methyl-4-oxobutanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(3-phenylmethoxy-4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[4-[2-(trifluoromethyl)benzimidazol-1-yl]cyclohexyl]methyl]butanamide
CID 159541167
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
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]prop-2-enamide;N-[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-pyridinyl]prop-2-enamide
CID 159896097
1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;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
CID 160189096
7-[[4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[2-(dimethylamino)ethoxy]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(1-methoxybutan-2-yloxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-piperidin-4-ylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160189772
1-Tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;2-[[9-ethyl-6-(3-fluoroanilino)purin-2-yl]amino]-2-methylpropan-1-ol;2-[[9-ethyl-6-[4-[2-(2-methoxyethylamino)ethoxy]anilino]purin-2-yl]amino]-2-methylpropan-1-ol;4-[[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]amino]cyclohexan-1-ol;7-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 160587840
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]prop-2-enamide;N-[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-pyridinyl]prop-2-enamide
CID 160886609
1-[3-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]phenoxy]-3-(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-methylphenyl)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 161732829

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol (CID 158797263) is 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol is CN1CCC(n2cnc3ccc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)cc32)C1.CN1CCC(n2cnc3ccc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)cc32)CC1.Cn1ncc2cnc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.O=C(Cn1cnc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)cc21)N1CCCCC1.OC(CNc1cc(-c2ccc3ncn(C4CCOCC4)c3c2)ccn1)CN1CCc2ccccc2C1.OC(CNc1cc(-c2ncc3ccn(C4CCC4)c3n2)ccn1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ncc3ccn(C4CCCCC4)c3n2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol?
The InChIKey is ITABGULPDMUXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O2.C30H36N6O.C30H34N4O2.C29H34N6O.C29H33N5O2.C27H30N6O.C25H27N5O/c38-29(21-35-16-13-24-7-2-3-8-27(24)20-35)19-33-28-10-6-9-25(17-28)26-11-12-30-31(18-26)37(23-34-30)22-32(39)36-14-4-1-5-15-36;1-34-13-10-26(11-14-34)36-21-33-28-7-6-23(16-29(28)36)24-8-12-31-30(17-24)32-18-27(37)20-35-15-9-22-4-2-3-5-25(22)19-35;35-27(20-33-15-13-22-7-4-5-8-25(22)19-33)21-36-28-12-6-9-23(17-28)29-31-18-24-14-16-34(30(24)32-29)26-10-2-1-3-11-26;1-33-12-10-25(18-33)35-20-32-27-7-6-22(14-28(27)35)23-8-11-30-29(15-23)31-16-26(36)19-34-13-9-21-4-2-3-5-24(21)17-34;35-26(19-33-12-8-21-3-1-2-4-24(21)18-33)17-31-29-16-23(7-11-30-29)22-5-6-27-28(15-22)34(20-32-27)25-9-13-36-14-10-25;34-24(18-32-12-9-19-4-1-2-5-22(19)17-32)16-29-25-14-20(8-11-28-25)26-30-15-21-10-13-33(27(21)31-26)23-6-3-7-23;1-29-25-12-24(27-13-21(25)14-28-29)19-7-4-8-22(11-19)26-15-23(31)17-30-10-9-18-5-2-3-6-20(18)16-30/h2-3,6-12,17-18,23,29,33,38H,1,4-5,13-16,19-22H2;2-8,12,16-17,21,26-27,37H,9-11,13-15,18-20H2,1H3,(H,31,32);4-9,12,14,16-18,26-27,35H,1-3,10-11,13,15,19-21H2;2-8,11,14-15,20,25-26,36H,9-10,12-13,16-19H2,1H3,(H,30,31);1-7,11,15-16,20,25-26,35H,8-10,12-14,17-19H2,(H,30,31);1-2,4-5,8,10-11,13-15,23-24,34H,3,6-7,9,12,16-18H2,(H,28,29);2-8,11-14,23,26,31H,9-10,15-17H2,1H3.
What are the key properties of 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol?
1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol has a molecular weight of 3337.32 g/mol, XLogP of 29.75, 49 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazolo[4,3-c]pyridin-6-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxan-4-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 158797263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).