1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine

C130H154F3N35O11S2 — CID 167638845

IUPAC1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)S(=O)(=O)c1ccc(C(F)(F)F)c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)c1.CCN1CCC(n2nc(C)c(-c3cc(N4CCOC[C@H]4C)nc(-c4ccnc5[nH]ccc45)n3)c2C)C1.Cc1nn(C2CCN(S(C)(=O)=O)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCOCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC(C)(C)O)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C27H34N8O.C26H26F3N5O3S.C26H32N8O3S.C26H31N7O2.C25H31N7O2/c1-5-33-11-8-20(15-33)35-19(4)25(18(3)32-35)23-14-24(34-12-13-36-16-17(34)2)31-27(30-23)22-7-10-29-26-21(22)6-9-28-26;1-15(2)38(35,36)17-4-5-21(26(27,28)29)20(12-17)22-13-23(34-10-11-37-14-16(34)3)33-25(32-22)19-7-9-31-24-18(19)6-8-30-24;1-16-15-37-12-11-33(16)23-13-22(29-26(30-23)21-6-9-28-25-20(21)5-8-27-25)24-17(2)31-34(18(24)3)19-7-10-32(14-19)38(4,35)36;1-16-15-35-13-10-32(16)23-14-22(24-17(2)31-33(18(24)3)19-6-11-34-12-7-19)29-26(30-23)21-5-9-28-25-20(21)4-8-27-25;1-15-13-34-11-10-31(15)21-12-20(22-16(2)30-32(17(22)3)14-25(4,5)33)28-24(29-21)19-7-9-27-23-18(19)6-8-26-23/h6-7,9-10,14,17,20H,5,8,11-13,15-16H2,1-4H3,(H,28,29);4-9,12-13,15-16H,10-11,14H2,1-3H3,(H,30,31);5-6,8-9,13,16,19H,7,10-12,14-15H2,1-4H3,(H,27,28);4-5,8-9,14,16,19H,6-7,10-13,15H2,1-3H3,(H,27,28);6-9,12,15,33H,10-11,13-14H2,1-5H3,(H,26,27)/t17-,20?;16-;16-,19?;16-;15-/m11111/s1
InChIKeyOWKWMEJDWBQTGW-PMQLCHTLSA-N
MW2504.02 g/mol
LogP19.61
Rot. Bonds24

About 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine

1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine (PubChem CID 167638845) has the molecular formula C130H154F3N35O11S2 and a molecular weight of 2504.02 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
PubChem CID167638845
Molecular FormulaC130H154F3N35O11S2
Molecular Weight2504.02 g/mol
Exact Mass2502.20
IUPAC Name1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)S(=O)(=O)c1ccc(C(F)(F)F)c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)c1.CCN1CCC(n2nc(C)c(-c3cc(N4CCOC[C@H]4C)nc(-c4ccnc5[nH]ccc45)n3)c2C)C1.Cc1nn(C2CCN(S(C)(=O)=O)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCOCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC(C)(C)O)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C27H34N8O.C26H26F3N5O3S.C26H32N8O3S.C26H31N7O2.C25H31N7O2/c1-5-33-11-8-20(15-33)35-19(4)25(18(3)32-35)23-14-24(34-12-13-36-16-17(34)2)31-27(30-23)22-7-10-29-26-21(22)6-9-28-26;1-15(2)38(35,36)17-4-5-21(26(27,28)29)20(12-17)22-13-23(34-10-11-37-14-16(34)3)33-25(32-22)19-7-9-31-24-18(19)6-8-30-24;1-16-15-37-12-11-33(16)23-13-22(29-26(30-23)21-6-9-28-25-20(21)5-8-27-25)24-17(2)31-34(18(24)3)19-7-10-32(14-19)38(4,35)36;1-16-15-35-13-10-32(16)23-14-22(24-17(2)31-33(18(24)3)19-6-11-34-12-7-19)29-26(30-23)21-5-9-28-25-20(21)4-8-27-25;1-15-13-34-11-10-31(15)21-12-20(22-16(2)30-32(17(22)3)14-25(4,5)33)28-24(29-21)19-7-9-27-23-18(19)6-8-26-23/h6-7,9-10,14,17,20H,5,8,11-13,15-16H2,1-4H3,(H,28,29);4-9,12-13,15-16H,10-11,14H2,1-3H3,(H,30,31);5-6,8-9,13,16,19H,7,10-12,14-15H2,1-4H3,(H,27,28);4-5,8-9,14,16,19H,6-7,10-13,15H2,1-3H3,(H,27,28);6-9,12,15,33H,10-11,13-14H2,1-5H3,(H,26,27)/t17-,20?;16-;16-,19?;16-;15-/m11111/s1
InChIKeyOWKWMEJDWBQTGW-PMQLCHTLSA-N
XLogP19.61
TPSA510.15 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002504.02
LogP ≤ 519.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Analyze 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

1-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-2-ol
CID 69079398
1,4-bis[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-6-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)hexane-2,5-diol
CID 91598268
carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten
CID 157128475
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methoxypiperidin-3-yl]methyl]methanesulfonamide;3-[2-[3-(methylsulfonylmethyl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;N-[[(5S)-5-methyl-4-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide
CID 158419229
(3R)-4-[6-[1-(3,3-difluoro-1-methylpiperidin-4-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(1,3,3-trimethylpiperidin-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-methoxy-5-propan-2-ylsulfonylphenyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 167536316
N,N-dimethyl-2-[4-methyl-3-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]phenyl]sulfonylpropan-1-amine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-3-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[2-methyl-5-(1-methylpiperidin-4-yl)sulfonylphenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-[5-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 167682626
carbanide;(3R)-4-[4-chloro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;ethane;tungsten
CID 157155441
5-[2-methylsulfonyl-6-(2-methylthiophen-3-yl)phenyl]-2H-tetrazole;5-[2-methylsulfonyl-6-(2-propan-2-ylpyrazol-3-yl)phenyl]-2H-tetrazole;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]pyrazolo[1,5-b]pyridazine;7-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine;3-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-b]pyridazine;4-[[4-[3-methylsulfonyl-2-(3H-1,2,4-triazol-5-yl)phenyl]thiophen-2-yl]methyl]morpholine
CID 157486252
carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;tungsten
CID 157556670
[1-tert-butyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methanol;N-[[1-tert-butyl-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6,6-dimethylpiperazin-2-yl]methyl]methanesulfonamide;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,5-dimethylpiperidin-3-yl]methanol;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]thiolane 1,1-dioxide
CID 157571019
carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]morpholine;(3R)-3-methyl-4-[6-(2-methylpyrazol-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine;tungsten
CID 158269381
carbanide;(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten
CID 158540565

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine (CID 167638845) is 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine is CC(C)S(=O)(=O)c1ccc(C(F)(F)F)c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)c1.CCN1CCC(n2nc(C)c(-c3cc(N4CCOC[C@H]4C)nc(-c4ccnc5[nH]ccc45)n3)c2C)C1.Cc1nn(C2CCN(S(C)(=O)=O)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(C2CCOCC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC(C)(C)O)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?
The InChIKey is OWKWMEJDWBQTGW-PMQLCHTLSA-N. The full InChI is InChI=1S/C27H34N8O.C26H26F3N5O3S.C26H32N8O3S.C26H31N7O2.C25H31N7O2/c1-5-33-11-8-20(15-33)35-19(4)25(18(3)32-35)23-14-24(34-12-13-36-16-17(34)2)31-27(30-23)22-7-10-29-26-21(22)6-9-28-26;1-15(2)38(35,36)17-4-5-21(26(27,28)29)20(12-17)22-13-23(34-10-11-37-14-16(34)3)33-25(32-22)19-7-9-31-24-18(19)6-8-30-24;1-16-15-37-12-11-33(16)23-13-22(29-26(30-23)21-6-9-28-25-20(21)5-8-27-25)24-17(2)31-34(18(24)3)19-7-10-32(14-19)38(4,35)36;1-16-15-35-13-10-32(16)23-14-22(24-17(2)31-33(18(24)3)19-6-11-34-12-7-19)29-26(30-23)21-5-9-28-25-20(21)4-8-27-25;1-15-13-34-11-10-31(15)21-12-20(22-16(2)30-32(17(22)3)14-25(4,5)33)28-24(29-21)19-7-9-27-23-18(19)6-8-26-23/h6-7,9-10,14,17,20H,5,8,11-13,15-16H2,1-4H3,(H,28,29);4-9,12-13,15-16H,10-11,14H2,1-3H3,(H,30,31);5-6,8-9,13,16,19H,7,10-12,14-15H2,1-4H3,(H,27,28);4-5,8-9,14,16,19H,6-7,10-13,15H2,1-3H3,(H,27,28);6-9,12,15,33H,10-11,13-14H2,1-5H3,(H,26,27)/t17-,20?;16-;16-,19?;16-;15-/m11111/s1.
What are the key properties of 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine?
1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine has a molecular weight of 2504.02 g/mol, XLogP of 19.61, 24 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;(3R)-4-[6-[3,5-dimethyl-1-(1-methylsulfonylpyrrolidin-3-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1-(1-ethylpyrrolidin-3-yl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-3-methyl-4-[6-[5-propan-2-ylsulfonyl-2-(trifluoromethyl)phenyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 167638845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).