5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C138H138F2N28O5 — CID 158037244

IUPAC5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1c[nH]c2cccc(F)c12.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1cc(-c2cnn(C)c2)on1.COC(=O)c1c[nH]cc1C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1.COCC(C)(c1ccc(-c2cnc(N)nc2)cc1)c1cn(C)c2ncccc12.COc1cccc2[nH]cc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)c12.Nc1ncc(-c2ccc(C3(c4c(-c5ccc(F)cc5)[nH]c5ccccc45)CCC3)cc2)cn1
InChIInChI=1S/C28H23FN4.C24H26N4O.C23H23FN4.C22H23N5O.C21H23N7O.C20H20N4O2/c29-22-12-8-19(9-13-22)26-25(23-4-1-2-5-24(23)33-26)28(14-3-15-28)21-10-6-18(7-11-21)20-16-31-27(30)32-17-20;1-15(2)24(3,19-14-26-20-6-5-7-21(29-4)22(19)20)18-10-8-16(9-11-18)17-12-27-23(25)28-13-17;1-14(2)23(3,18-13-26-20-6-4-5-19(24)21(18)20)17-9-7-15(8-10-17)16-11-27-22(25)28-12-16;1-22(14-28-3,19-13-27(2)20-18(19)5-4-10-24-20)17-8-6-15(7-9-17)16-11-25-21(23)26-12-16;1-13(2)21(3,19-7-18(29-27-19)15-10-26-28(4)12-15)16-5-6-17(23-11-16)14-8-24-20(22)25-9-14;1-26-18(25)16-11-22-12-17(16)20(7-2-8-20)15-5-3-13(4-6-15)14-9-23-19(21)24-10-14/h1-2,4-13,16-17,33H,3,14-15H2,(H2,30,31,32);5-15,26H,1-4H3,(H2,25,27,28);4-14,26H,1-3H3,(H2,25,27,28);4-13H,14H2,1-3H3,(H2,23,25,26);5-13H,1-4H3,(H2,22,24,25);3-6,9-12,22H,2,7-8H2,1H3,(H2,21,23,24)
InChIKeyFHXDEXYHWUYPNB-UHFFFAOYSA-N
MW2306.81 g/mol
LogP27.32
Rot. Bonds27

About 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 158037244) has the molecular formula C138H138F2N28O5 and a molecular weight of 2306.81 g/mol. Its IUPAC name is 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID158037244
Molecular FormulaC138H138F2N28O5
Molecular Weight2306.81 g/mol
Exact Mass2305.14
IUPAC Name5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1c[nH]c2cccc(F)c12.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1cc(-c2cnn(C)c2)on1.COC(=O)c1c[nH]cc1C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1.COCC(C)(c1ccc(-c2cnc(N)nc2)cc1)c1cn(C)c2ncccc12.COc1cccc2[nH]cc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)c12.Nc1ncc(-c2ccc(C3(c4c(-c5ccc(F)cc5)[nH]c5ccccc45)CCC3)cc2)cn1
InChIInChI=1S/C28H23FN4.C24H26N4O.C23H23FN4.C22H23N5O.C21H23N7O.C20H20N4O2/c29-22-12-8-19(9-13-22)26-25(23-4-1-2-5-24(23)33-26)28(14-3-15-28)21-10-6-18(7-11-21)20-16-31-27(30)32-17-20;1-15(2)24(3,19-14-26-20-6-5-7-21(29-4)22(19)20)18-10-8-16(9-11-18)17-12-27-23(25)28-13-17;1-14(2)23(3,18-13-26-20-6-4-5-19(24)21(18)20)17-9-7-15(8-10-17)16-11-27-22(25)28-12-16;1-22(14-28-3,19-13-27(2)20-18(19)5-4-10-24-20)17-8-6-15(7-9-17)16-11-25-21(23)26-12-16;1-13(2)21(3,19-7-18(29-27-19)15-10-26-28(4)12-15)16-5-6-17(23-11-16)14-8-24-20(22)25-9-14;1-26-18(25)16-11-22-12-17(16)20(7-2-8-20)15-5-3-13(4-6-15)14-9-23-19(21)24-10-14/h1-2,4-13,16-17,33H,3,14-15H2,(H2,30,31,32);5-15,26H,1-4H3,(H2,25,27,28);4-14,26H,1-3H3,(H2,25,27,28);4-13H,14H2,1-3H3,(H2,23,25,26);5-13H,1-4H3,(H2,22,24,25);3-6,9-12,22H,2,7-8H2,1H3,(H2,21,23,24)
InChIKeyFHXDEXYHWUYPNB-UHFFFAOYSA-N
XLogP27.32
TPSA493.28 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002306.81
LogP ≤ 527.32
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 161331815
3-(diethylaminomethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrazol-1-ylmethyl)-1,2-benzoxazol-6-amine
CID 161751314
3-(cyclohexylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclohexylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 161777529
1,3-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2,8-dimethyl-3,4-dihydro-1H-isoquinoline;1,2-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2,5-dimethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;3-(2-methoxyethyl)-1-methyl-2,3-dihydroindole;7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline;5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;methyl 5-fluoro-1-methyl-2,3-dihydroindole-3-carboxylate;5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;2,3,3-trimethyl-1,4-dihydroisoquinoline;1,4,4-trimethyl-2,3-dihydroquinoline
CID 161827750
4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate
CID 162214259
1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 157103291
4-[4-(benzotriazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-yl]-5-methyl-3-pyridin-4-yl-1,2-oxazole;4-[4-(6-fluoro-2-methyl-1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1H-indol-3-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(1-methylindazol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-phenyl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(8-methoxy-1-pyrazolo[1,5-a]pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(4-pyridin-4-yl-1H-pyrrol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 157316086
CID 157643257
CID 157643257
3-butyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-cyclobutylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclohexylmethyl)-N-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(4,4-dimethylpentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrrolidin-1-ylmethyl)-1,2-benzoxazol-6-amine
CID 157729436
4-[4-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(3-cyclopropyl-5-methyl-2H-pyrrol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-N,N-dimethyl-9H-pyrimido[4,5-b]indol-4-amine;4-[4-(1,3-dimethyl-5-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[4-(1,5-dimethyl-3-phenylpyrazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-(2-methyl-1H-indol-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(3-methylphenyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
CID 158172257
4-[6-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]benzamide;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridin-3-ylpyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;methyl 4-[1-[(1,4-difluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-2-fluorobenzoate
CID 158213442
3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 158281579

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 158037244) is 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1c[nH]c2cccc(F)c12.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1cc(-c2cnn(C)c2)on1.COC(=O)c1c[nH]cc1C1(c2ccc(-c3cnc(N)nc3)cc2)CCC1.COCC(C)(c1ccc(-c2cnc(N)nc2)cc1)c1cn(C)c2ncccc12.COc1cccc2[nH]cc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)c12.Nc1ncc(-c2ccc(C3(c4c(-c5ccc(F)cc5)[nH]c5ccccc45)CCC3)cc2)cn1.
What is the InChIKey of 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is FHXDEXYHWUYPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4.C24H26N4O.C23H23FN4.C22H23N5O.C21H23N7O.C20H20N4O2/c29-22-12-8-19(9-13-22)26-25(23-4-1-2-5-24(23)33-26)28(14-3-15-28)21-10-6-18(7-11-21)20-16-31-27(30)32-17-20;1-15(2)24(3,19-14-26-20-6-5-7-21(29-4)22(19)20)18-10-8-16(9-11-18)17-12-27-23(25)28-13-17;1-14(2)23(3,18-13-26-20-6-4-5-19(24)21(18)20)17-9-7-15(8-10-17)16-11-27-22(25)28-12-16;1-22(14-28-3,19-13-27(2)20-18(19)5-4-10-24-20)17-8-6-15(7-9-17)16-11-25-21(23)26-12-16;1-13(2)21(3,19-7-18(29-27-19)15-10-26-28(4)12-15)16-5-6-17(23-11-16)14-8-24-20(22)25-9-14;1-26-18(25)16-11-22-12-17(16)20(7-2-8-20)15-5-3-13(4-6-15)14-9-23-19(21)24-10-14/h1-2,4-13,16-17,33H,3,14-15H2,(H2,30,31,32);5-15,26H,1-4H3,(H2,25,27,28);4-14,26H,1-3H3,(H2,25,27,28);4-13H,14H2,1-3H3,(H2,23,25,26);5-13H,1-4H3,(H2,22,24,25);3-6,9-12,22H,2,7-8H2,1H3,(H2,21,23,24).
What are the key properties of 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2306.81 g/mol, XLogP of 27.32, 27 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 158037244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).