N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide

C128H163F12N23O18S4 — CID 157263497

IUPACN-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
SMILESC.C.COc1cc(C(=O)NC2CCC(N3CCOCC3)CC2)c(C)cc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCCN(C3CCC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCCN(CC3CC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1ccc(CCc2nc(Nc3ccc(NC(C)=O)c(OC)c3)ncc2C(F)(F)F)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C35H45F3N6O5S.2C33H41F3N6O4S.C25H28F3N5O5S.2CH4/c1-22-6-7-24(31(18-22)43(3)50(5,46)47)8-13-29-28(35(36,37)38)21-39-34(41-29)42-30-19-23(2)27(20-32(30)48-4)33(45)40-25-9-11-26(12-10-25)44-14-16-49-17-15-44;1-21-10-11-22(29(17-21)41(2)47(4,44)45)12-14-27-26(33(34,35)36)19-37-32(39-27)40-28-15-13-23(18-30(28)46-3)31(43)38-24-7-6-16-42(20-24)25-8-5-9-25;1-21-7-10-23(29(16-21)41(2)47(4,44)45)11-13-27-26(33(34,35)36)18-37-32(39-27)40-28-14-12-24(17-30(28)46-3)31(43)38-25-6-5-15-42(20-25)19-22-8-9-22;1-15(34)30-21-11-8-17(12-23(21)38-4)31-24-29-14-19(25(26,27)28)20(32-24)10-7-16-6-9-18(37-3)13-22(16)33(2)39(5,35)36;;/h6-7,18-21,25-26H,8-17H2,1-5H3,(H,40,45)(H,39,41,42);10-11,13,15,17-19,24-25H,5-9,12,14,16,20H2,1-4H3,(H,38,43)(H,37,39,40);7,10,12,14,16-18,22,25H,5-6,8-9,11,13,15,19-20H2,1-4H3,(H,38,43)(H,37,39,40);6,8-9,11-14H,7,10H2,1-5H3,(H,30,34)(H,29,31,32);2*1H4/t;24-;25-;;;/m.11.../s1
InChIKeyAXSRKFRUGLPVNE-CKPGYBEOSA-N
MW2668.10 g/mol
LogP21.91
Rot. Bonds44

About N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide

N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide (PubChem CID 157263497) has the molecular formula C128H163F12N23O18S4 and a molecular weight of 2668.10 g/mol. Its IUPAC name is N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
PubChem CID157263497
Molecular FormulaC128H163F12N23O18S4
Molecular Weight2668.10 g/mol
Exact Mass2666.12
IUPAC NameN-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
SMILESC.C.COc1cc(C(=O)NC2CCC(N3CCOCC3)CC2)c(C)cc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCCN(C3CCC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCCN(CC3CC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1ccc(CCc2nc(Nc3ccc(NC(C)=O)c(OC)c3)ncc2C(F)(F)F)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C35H45F3N6O5S.2C33H41F3N6O4S.C25H28F3N5O5S.2CH4/c1-22-6-7-24(31(18-22)43(3)50(5,46)47)8-13-29-28(35(36,37)38)21-39-34(41-29)42-30-19-23(2)27(20-32(30)48-4)33(45)40-25-9-11-26(12-10-25)44-14-16-49-17-15-44;1-21-10-11-22(29(17-21)41(2)47(4,44)45)12-14-27-26(33(34,35)36)19-37-32(39-27)40-28-15-13-23(18-30(28)46-3)31(43)38-24-7-6-16-42(20-24)25-8-5-9-25;1-21-7-10-23(29(16-21)41(2)47(4,44)45)11-13-27-26(33(34,35)36)18-37-32(39-27)40-28-14-12-24(17-30(28)46-3)31(43)38-25-6-5-15-42(20-25)19-22-8-9-22;1-15(34)30-21-11-8-17(12-23(21)38-4)31-24-29-14-19(25(26,27)28)20(32-24)10-7-16-6-9-18(37-3)13-22(16)33(2)39(5,35)36;;/h6-7,18-21,25-26H,8-17H2,1-5H3,(H,40,45)(H,39,41,42);10-11,13,15,17-19,24-25H,5-9,12,14,16,20H2,1-4H3,(H,38,43)(H,37,39,40);7,10,12,14,16-18,22,25H,5-6,8-9,11,13,15,19-20H2,1-4H3,(H,38,43)(H,37,39,40);6,8-9,11-14H,7,10H2,1-5H3,(H,30,34)(H,29,31,32);2*1H4/t;24-;25-;;;/m.11.../s1
InChIKeyAXSRKFRUGLPVNE-CKPGYBEOSA-N
XLogP21.91
TPSA482.26 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds44
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002668.10
LogP ≤ 521.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide with MolForge

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Related Compounds

5-methoxy-2-methyl-4-[[4-[[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 46203425
3-methoxy-4-[[4-[[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 46206683
3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-phenylpiperidin-4-yl)benzamide
CID 58506239
3-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 58506243
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclohexyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58506259
3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide
CID 58506261
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58506262
N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58506263
5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 58506268
3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylcyclobutyl)benzamide
CID 58506273
N-[4-[4-(cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58506278
N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58506293

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide?
The IUPAC name of N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide (CID 157263497) is N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide.
What is the SMILES notation for N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide?
The canonical SMILES for N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide is C.C.COc1cc(C(=O)NC2CCC(N3CCOCC3)CC2)c(C)cc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCCN(C3CCC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1cc(C(=O)N[C@@H]2CCCN(CC3CC3)C2)ccc1Nc1ncc(C(F)(F)F)c(CCc2ccc(C)cc2N(C)S(C)(=O)=O)n1.COc1ccc(CCc2nc(Nc3ccc(NC(C)=O)c(OC)c3)ncc2C(F)(F)F)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide?
The InChIKey is AXSRKFRUGLPVNE-CKPGYBEOSA-N. The full InChI is InChI=1S/C35H45F3N6O5S.2C33H41F3N6O4S.C25H28F3N5O5S.2CH4/c1-22-6-7-24(31(18-22)43(3)50(5,46)47)8-13-29-28(35(36,37)38)21-39-34(41-29)42-30-19-23(2)27(20-32(30)48-4)33(45)40-25-9-11-26(12-10-25)44-14-16-49-17-15-44;1-21-10-11-22(29(17-21)41(2)47(4,44)45)12-14-27-26(33(34,35)36)19-37-32(39-27)40-28-15-13-23(18-30(28)46-3)31(43)38-24-7-6-16-42(20-24)25-8-5-9-25;1-21-7-10-23(29(16-21)41(2)47(4,44)45)11-13-27-26(33(34,35)36)18-37-32(39-27)40-28-14-12-24(17-30(28)46-3)31(43)38-25-6-5-15-42(20-25)19-22-8-9-22;1-15(34)30-21-11-8-17(12-23(21)38-4)31-24-29-14-19(25(26,27)28)20(32-24)10-7-16-6-9-18(37-3)13-22(16)33(2)39(5,35)36;;/h6-7,18-21,25-26H,8-17H2,1-5H3,(H,40,45)(H,39,41,42);10-11,13,15,17-19,24-25H,5-9,12,14,16,20H2,1-4H3,(H,38,43)(H,37,39,40);7,10,12,14,16-18,22,25H,5-6,8-9,11,13,15,19-20H2,1-4H3,(H,38,43)(H,37,39,40);6,8-9,11-14H,7,10H2,1-5H3,(H,30,34)(H,29,31,32);2*1H4/t;24-;25-;;;/m.11.../s1.
What are the key properties of N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide?
N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide has a molecular weight of 2668.10 g/mol, XLogP of 21.91, 44 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cyclobutylpiperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-3-methoxy-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;methane;N-[2-methoxy-4-[[4-[2-[4-methoxy-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide;5-methoxy-2-methyl-4-[[4-[2-[4-methyl-2-[methyl(methylsulfonyl)amino]phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)benzamide is sourced from PubChem (CID 157263497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).