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

C140H171F3N36O9S2 — CID 167682626

IUPACN,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
SMILESCc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCN(C)CC1.Cc1ccc(S(=O)(=O)C(C)CN(C)C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1ccc(S(=O)(=O)C2CCN(C)CC2)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCCN(C)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCN(C)CC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C29H34N6O3S.2C28H36N8O.C28H34N6O3S.C27H31F3N8O/c1-19-4-5-22(39(36,37)21-8-12-34(3)13-9-21)16-25(19)26-17-27(35-14-15-38-18-20(35)2)33-29(32-26)24-7-11-31-28-23(24)6-10-30-28;1-18-17-37-14-13-35(18)25-15-24(31-28(32-25)23-6-10-30-27-22(23)5-9-29-27)26-19(2)33-36(20(26)3)16-21-7-11-34(4)12-8-21;1-18-17-37-13-12-35(18)25-14-24(31-28(32-25)23-8-10-30-27-22(23)7-9-29-27)26-19(2)33-36(20(26)3)16-21-6-5-11-34(4)15-21;1-18-6-7-21(38(35,36)20(3)16-33(4)5)14-24(18)25-15-26(34-12-13-37-17-19(34)2)32-28(31-25)23-9-11-30-27-22(23)8-10-29-27;1-16-15-39-13-12-37(16)22-14-21(33-26(34-22)20-5-9-32-25-19(20)4-8-31-25)23-17(2)38(35-24(23)27(28,29)30)18-6-10-36(3)11-7-18/h4-7,10-11,16-17,20-21H,8-9,12-15,18H2,1-3H3,(H,30,31);5-6,9-10,15,18,21H,7-8,11-14,16-17H2,1-4H3,(H,29,30);7-10,14,18,21H,5-6,11-13,15-17H2,1-4H3,(H,29,30);6-11,14-15,19-20H,12-13,16-17H2,1-5H3,(H,29,30);4-5,8-9,14,16,18H,6-7,10-13,15H2,1-3H3,(H,31,32)/t20-;18-;18-,21?;19-,20?;16-/m11111/s1
InChIKeyVTKSINPLMVSTPA-WCWONMLCSA-N
MW2623.28 g/mol
LogP20.87
Rot. Bonds26

About 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

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 (PubChem CID 167682626) has the molecular formula C140H171F3N36O9S2 and a molecular weight of 2623.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID167682626
Molecular FormulaC140H171F3N36O9S2
Molecular Weight2623.28 g/mol
Exact Mass2621.34
IUPAC NameN,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
SMILESCc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCN(C)CC1.Cc1ccc(S(=O)(=O)C(C)CN(C)C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1ccc(S(=O)(=O)C2CCN(C)CC2)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCCN(C)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCN(C)CC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C29H34N6O3S.2C28H36N8O.C28H34N6O3S.C27H31F3N8O/c1-19-4-5-22(39(36,37)21-8-12-34(3)13-9-21)16-25(19)26-17-27(35-14-15-38-18-20(35)2)33-29(32-26)24-7-11-31-28-23(24)6-10-30-28;1-18-17-37-14-13-35(18)25-15-24(31-28(32-25)23-6-10-30-27-22(23)5-9-29-27)26-19(2)33-36(20(26)3)16-21-7-11-34(4)12-8-21;1-18-17-37-13-12-35(18)25-14-24(31-28(32-25)23-8-10-30-27-22(23)7-9-29-27)26-19(2)33-36(20(26)3)16-21-6-5-11-34(4)15-21;1-18-6-7-21(38(35,36)20(3)16-33(4)5)14-24(18)25-15-26(34-12-13-37-17-19(34)2)32-28(31-25)23-9-11-30-27-22(23)8-10-29-27;1-16-15-39-13-12-37(16)22-14-21(33-26(34-22)20-5-9-32-25-19(20)4-8-31-25)23-17(2)38(35-24(23)27(28,29)30)18-6-10-36(3)11-7-18/h4-7,10-11,16-17,20-21H,8-9,12-15,18H2,1-3H3,(H,30,31);5-6,9-10,15,18,21H,7-8,11-14,16-17H2,1-4H3,(H,29,30);7-10,14,18,21H,5-6,11-13,15-17H2,1-4H3,(H,29,30);6-11,14-15,19-20H,12-13,16-17H2,1-5H3,(H,29,30);4-5,8-9,14,16,18H,6-7,10-13,15H2,1-3H3,(H,31,32)/t20-;18-;18-,21?;19-,20?;16-/m11111/s1
InChIKeyVTKSINPLMVSTPA-WCWONMLCSA-N
XLogP20.87
TPSA472.59 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.28
LogP ≤ 520.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze 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 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
(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 155376260
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
5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)-5-[(1S,5R)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158538668
4-tert-butyl-6-propan-2-ylpyrimidine;4-(difluoromethyl)-6-propan-2-ylpyrimidine;2-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylpyridine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyrimidine;4-propan-2-yl-2-propylsulfonylpyridine;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-(4-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-5-pyridin-3-ylpyridine;2-propan-2-yl-5-pyridin-4-ylpyridine;4-propan-2-ylpyrimidine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;4-propan-2-yl-7H-pyrrolo[3,4-b]pyridine
CID 159625555
(3R)-4-[6-[1-(azetidin-3-ylmethyl)-3,5-dimethylpyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[2-(difluoromethyl)-4-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 167598752
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
(3R)-4-[2-(benzimidazol-1-yl)-6-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;1-[4-[3,5-dimethyl-1-(methylsulfonylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;1-[4-[3,5-dimethyl-1-(piperidin-3-ylmethyl)pyrazol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-methylbenzimidazol-2-amine;(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[5-methyl-1-piperidin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;N-methyl-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-[5-methyl-1-piperidin-3-yl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidin-2-yl]benzimidazol-2-amine
CID 167678717
(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
CID 155376142
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
CID 155376225
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
carbanide;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(6-fluoro-1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten
CID 157212261

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4[nH]ccc34)n2)c(C(F)(F)F)nn1C1CCN(C)CC1.Cc1ccc(S(=O)(=O)C(C)CN(C)C)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1ccc(S(=O)(=O)C2CCN(C)CC2)cc1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCCN(C)C2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.Cc1nn(CC2CCN(C)CC2)c(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of 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?
The InChIKey is VTKSINPLMVSTPA-WCWONMLCSA-N. The full InChI is InChI=1S/C29H34N6O3S.2C28H36N8O.C28H34N6O3S.C27H31F3N8O/c1-19-4-5-22(39(36,37)21-8-12-34(3)13-9-21)16-25(19)26-17-27(35-14-15-38-18-20(35)2)33-29(32-26)24-7-11-31-28-23(24)6-10-30-28;1-18-17-37-14-13-35(18)25-15-24(31-28(32-25)23-6-10-30-27-22(23)5-9-29-27)26-19(2)33-36(20(26)3)16-21-7-11-34(4)12-8-21;1-18-17-37-13-12-35(18)25-14-24(31-28(32-25)23-8-10-30-27-22(23)7-9-29-27)26-19(2)33-36(20(26)3)16-21-6-5-11-34(4)15-21;1-18-6-7-21(38(35,36)20(3)16-33(4)5)14-24(18)25-15-26(34-12-13-37-17-19(34)2)32-28(31-25)23-9-11-30-27-22(23)8-10-29-27;1-16-15-39-13-12-37(16)22-14-21(33-26(34-22)20-5-9-32-25-19(20)4-8-31-25)23-17(2)38(35-24(23)27(28,29)30)18-6-10-36(3)11-7-18/h4-7,10-11,16-17,20-21H,8-9,12-15,18H2,1-3H3,(H,30,31);5-6,9-10,15,18,21H,7-8,11-14,16-17H2,1-4H3,(H,29,30);7-10,14,18,21H,5-6,11-13,15-17H2,1-4H3,(H,29,30);6-11,14-15,19-20H,12-13,16-17H2,1-5H3,(H,29,30);4-5,8-9,14,16,18H,6-7,10-13,15H2,1-3H3,(H,31,32)/t20-;18-;18-,21?;19-,20?;16-/m11111/s1.
What are the key properties of 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?
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 has a molecular weight of 2623.28 g/mol, XLogP of 20.87, 26 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167682626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).