N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide

C124H154F15N25O17S4 — CID 160938467

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
SMILESC.CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccc(C)cc3N(C)S(C)(=O)=O)n2)c(OC)c1.COc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(F)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN(C3CCOCC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C34H43F3N6O5S.C31H39F3N6O4S.C30H36F4N6O4S.C28H32F5N7O4S.CH4/c1-22-5-6-23(30(19-22)42(2)49(4,45)46)7-9-28-27(34(35,36)37)21-38-33(40-28)41-29-10-8-24(20-31(29)47-3)32(44)39-25-11-15-43(16-12-25)26-13-17-48-18-14-26;1-6-40-15-7-8-23(40)18-35-29(41)22-12-14-26(28(17-22)44-4)38-30-36-19-24(31(32,33)34)25(37-30)13-11-21-10-9-20(2)16-27(21)39(3)45(5,42)43;1-18-6-7-20(25(12-18)40(3)45(5,42)43)16-35-28-22(30(32,33)34)17-36-29(38-28)37-24-15-23(31)21(14-27(24)44-4)26(41)13-19-8-10-39(2)11-9-19;1-39-9-7-18(8-10-39)36-26(41)19-12-24(44-3)22(13-21(19)30)37-27-35-15-20(28(31,32)33)25(38-27)34-14-16-5-6-17(29)11-23(16)40(2)45(4,42)43;/h5-6,8,10,19-21,25-26H,7,9,11-18H2,1-4H3,(H,39,44)(H,38,40,41);9-10,12,14,16-17,19,23H,6-8,11,13,15,18H2,1-5H3,(H,35,41)(H,36,37,38);6-7,12,14-15,17,19H,8-11,13,16H2,1-5H3,(H2,35,36,37,38);5-6,11-13,15,18H,7-10,14H2,1-4H3,(H,36,41)(H2,34,35,37,38);1H4/t;23-;;;/m.0.../s1
InChIKeySUELTKUKPAJPAR-XCPYPSAWSA-N
MW2679.99 g/mol
LogP20.67
Rot. Bonds44

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide (PubChem CID 160938467) has the molecular formula C124H154F15N25O17S4 and a molecular weight of 2679.99 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
PubChem CID160938467
Molecular FormulaC124H154F15N25O17S4
Molecular Weight2679.99 g/mol
Exact Mass2678.06
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
SMILESC.CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccc(C)cc3N(C)S(C)(=O)=O)n2)c(OC)c1.COc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(F)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN(C3CCOCC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1
InChIInChI=1S/C34H43F3N6O5S.C31H39F3N6O4S.C30H36F4N6O4S.C28H32F5N7O4S.CH4/c1-22-5-6-23(30(19-22)42(2)49(4,45)46)7-9-28-27(34(35,36)37)21-38-33(40-28)41-29-10-8-24(20-31(29)47-3)32(44)39-25-11-15-43(16-12-25)26-13-17-48-18-14-26;1-6-40-15-7-8-23(40)18-35-29(41)22-12-14-26(28(17-22)44-4)38-30-36-19-24(31(32,33)34)25(37-30)13-11-21-10-9-20(2)16-27(21)39(3)45(5,42)43;1-18-6-7-20(25(12-18)40(3)45(5,42)43)16-35-28-22(30(32,33)34)17-36-29(38-28)37-24-15-23(31)21(14-27(24)44-4)26(41)13-19-8-10-39(2)11-9-19;1-39-9-7-18(8-10-39)36-26(41)19-12-24(44-3)22(13-21(19)30)37-27-35-15-20(28(31,32)33)25(38-27)34-14-16-5-6-17(29)11-23(16)40(2)45(4,42)43;/h5-6,8,10,19-21,25-26H,7,9,11-18H2,1-4H3,(H,39,44)(H,38,40,41);9-10,12,14,16-17,19,23H,6-8,11,13,15,18H2,1-5H3,(H,35,41)(H,36,37,38);6-7,12,14-15,17,19H,8-11,13,16H2,1-5H3,(H2,35,36,37,38);5-6,11-13,15,18H,7-10,14H2,1-4H3,(H,36,41)(H2,34,35,37,38);1H4/t;23-;;;/m.0.../s1
InChIKeySUELTKUKPAJPAR-XCPYPSAWSA-N
XLogP20.67
TPSA488.30 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002679.99
LogP ≤ 520.67
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide with MolForge

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Related Compounds

US20250127800, Example 1
CID 169717267
US20250127800, Example 3
CID 169929103
US20250127800, Example 4
CID 169929106
N-(1-ethylpiperidin-4-yl)-2-fluoro-5-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46191767
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(oxan-4-yl)benzamide
CID 46201775
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(oxolan-3-yl)benzamide
CID 46202120
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 46202778
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylcyclobutyl)benzamide
CID 46202781
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 46202783
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 46203109
3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-3-yl)benzamide
CID 46203110
N-(1-ethylpiperidin-4-yl)-3-methoxy-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 46203111

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide (CID 160938467) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide is C.CCN1CCC[C@H]1CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(CCc3ccc(C)cc3N(C)S(C)(=O)=O)n2)c(OC)c1.COc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NCc2ccc(F)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)NC2CCN(C3CCOCC3)CC2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
The InChIKey is SUELTKUKPAJPAR-XCPYPSAWSA-N. The full InChI is InChI=1S/C34H43F3N6O5S.C31H39F3N6O4S.C30H36F4N6O4S.C28H32F5N7O4S.CH4/c1-22-5-6-23(30(19-22)42(2)49(4,45)46)7-9-28-27(34(35,36)37)21-38-33(40-28)41-29-10-8-24(20-31(29)47-3)32(44)39-25-11-15-43(16-12-25)26-13-17-48-18-14-26;1-6-40-15-7-8-23(40)18-35-29(41)22-12-14-26(28(17-22)44-4)38-30-36-19-24(31(32,33)34)25(37-30)13-11-21-10-9-20(2)16-27(21)39(3)45(5,42)43;1-18-6-7-20(25(12-18)40(3)45(5,42)43)16-35-28-22(30(32,33)34)17-36-29(38-28)37-24-15-23(31)21(14-27(24)44-4)26(41)13-19-8-10-39(2)11-9-19;1-39-9-7-18(8-10-39)36-26(41)19-12-24(44-3)22(13-21(19)30)37-27-35-15-20(28(31,32)33)25(38-27)34-14-16-5-6-17(29)11-23(16)40(2)45(4,42)43;/h5-6,8,10,19-21,25-26H,7,9,11-18H2,1-4H3,(H,39,44)(H,38,40,41);9-10,12,14,16-17,19,23H,6-8,11,13,15,18H2,1-5H3,(H,35,41)(H,36,37,38);6-7,12,14-15,17,19H,8-11,13,16H2,1-5H3,(H2,35,36,37,38);5-6,11-13,15,18H,7-10,14H2,1-4H3,(H,36,41)(H2,34,35,37,38);1H4/t;23-;;;/m.0.../s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide has a molecular weight of 2679.99 g/mol, XLogP of 20.67, 44 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;2-fluoro-4-[[4-[[4-fluoro-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;N-[2-[[[2-[5-fluoro-2-methoxy-4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-5-methylphenyl]-N-methylmethanesulfonamide;methane;3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 160938467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).