5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid

C158H178F18N16O14 — CID 157322830

IUPAC5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid
SMILESCC(=O)CCCOC(C)c1ccc(C)c(-c2ccc(C)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)c1.CC(=O)CCCOCc1cc(C(C)C)cc(-c2ccc(C)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)c1C.Cc1cc(CN(Cc2cc(C)c(OCCCCC(=O)O)cc2-c2cc(C(C)C)ccc2C)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc(C)ccc2-c2cc(C(C)C)ccc2OCCCC(=O)O)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C41H46F6N4O3.C40H47F3N4O4.C39H42F6N4O3.C38H43F3N4O4/c1-26(2)31-18-33(25-54-12-6-7-28(4)52)29(5)38(19-31)37-9-8-27(3)15-32(37)24-51(39-48-21-36(22-49-39)50-10-13-53-14-11-50)23-30-16-34(40(42,43)44)20-35(17-30)41(45,46)47;1-26(2)31-10-9-28(4)35(20-31)36-21-37(51-13-7-6-8-38(48)49)29(5)18-32(36)25-47(24-30-16-27(3)17-33(19-30)40(41,42)43)39-44-22-34(23-45-39)46-11-14-50-15-12-46;1-25-7-10-35(36-19-30(9-8-26(36)2)28(4)52-13-5-6-27(3)50)31(16-25)24-49(37-46-21-34(22-47-37)48-11-14-51-15-12-48)23-29-17-32(38(40,41)42)20-33(18-29)39(43,44)45;1-25(2)29-8-10-35(49-13-5-6-36(46)47)34(20-29)33-9-7-26(3)17-30(33)24-45(23-28-16-27(4)18-31(19-28)38(39,40)41)37-42-21-32(22-43-37)44-11-14-48-15-12-44/h8-9,15-22,26H,6-7,10-14,23-25H2,1-5H3;9-10,16-23,26H,6-8,11-15,24-25H2,1-5H3,(H,48,49);7-10,16-22,28H,5-6,11-15,23-24H2,1-4H3;7-10,16-22,25H,5-6,11-15,23-24H2,1-4H3,(H,46,47)
InChIKeyBEJHCERQTQOXTB-UHFFFAOYSA-N
MW2867.22 g/mol
LogP36.22
Rot. Bonds54

About 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid

5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid (PubChem CID 157322830) has the molecular formula C158H178F18N16O14 and a molecular weight of 2867.22 g/mol. Its IUPAC name is 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid.

Molecular Properties

Compound Name5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid
PubChem CID157322830
Molecular FormulaC158H178F18N16O14
Molecular Weight2867.22 g/mol
Exact Mass2865.34
IUPAC Name5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid
SMILESCC(=O)CCCOC(C)c1ccc(C)c(-c2ccc(C)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)c1.CC(=O)CCCOCc1cc(C(C)C)cc(-c2ccc(C)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)c1C.Cc1cc(CN(Cc2cc(C)c(OCCCCC(=O)O)cc2-c2cc(C(C)C)ccc2C)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc(C)ccc2-c2cc(C(C)C)ccc2OCCCC(=O)O)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C41H46F6N4O3.C40H47F3N4O4.C39H42F6N4O3.C38H43F3N4O4/c1-26(2)31-18-33(25-54-12-6-7-28(4)52)29(5)38(19-31)37-9-8-27(3)15-32(37)24-51(39-48-21-36(22-49-39)50-10-13-53-14-11-50)23-30-16-34(40(42,43)44)20-35(17-30)41(45,46)47;1-26(2)31-10-9-28(4)35(20-31)36-21-37(51-13-7-6-8-38(48)49)29(5)18-32(36)25-47(24-30-16-27(3)17-33(19-30)40(41,42)43)39-44-22-34(23-45-39)46-11-14-50-15-12-46;1-25-7-10-35(36-19-30(9-8-26(36)2)28(4)52-13-5-6-27(3)50)31(16-25)24-49(37-46-21-34(22-47-37)48-11-14-51-15-12-48)23-29-17-32(38(40,41)42)20-33(18-29)39(43,44)45;1-25(2)29-8-10-35(49-13-5-6-36(46)47)34(20-29)33-9-7-26(3)17-30(33)24-45(23-28-16-27(4)18-31(19-28)38(39,40)41)37-42-21-32(22-43-37)44-11-14-48-15-12-44/h8-9,15-22,26H,6-7,10-14,23-25H2,1-5H3;9-10,16-23,26H,6-8,11-15,24-25H2,1-5H3,(H,48,49);7-10,16-22,28H,5-6,11-15,23-24H2,1-4H3;7-10,16-22,25H,5-6,11-15,23-24H2,1-4H3,(H,46,47)
InChIKeyBEJHCERQTQOXTB-UHFFFAOYSA-N
XLogP36.22
TPSA311.62 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds54
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002867.22
LogP ≤ 536.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[2-[5-(1-ethoxyethyl)-2-methoxyphenyl]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 23641325
4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[5-methoxy-2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 23641476
4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[5-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)-4-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 23641530
4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[5-methoxy-2-(3-methoxy-6-propan-2-ylpyridin-2-yl)-4-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 23641532
4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[4-methoxy-2-(2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 23641637
4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 23641643
4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-5-propan-2-ylphenyl)-5-phenylmethoxyphenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 23641859
4-[3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(2-methoxy-5-propan-2-ylphenyl)phenoxy]butanoic acid
CID 23641910
4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[2-[2-methoxy-5-(1-methoxyethyl)phenyl]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 23642137
Sodium;4-[3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(2-methoxy-5-propan-2-ylphenyl)phenoxy]butanoate
CID 25217163
4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methyl-[[5-(4-methoxypiperidin-1-yl)-2-(2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 25217485
5-[3-[[[3,5-Bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-(2-methoxy-5-propan-2-ylphenyl)phenoxy]pentanoic acid
CID 25217602

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid?
The IUPAC name of 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid (CID 157322830) is 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid.
What is the SMILES notation for 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid?
The canonical SMILES for 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid is CC(=O)CCCOC(C)c1ccc(C)c(-c2ccc(C)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)c1.CC(=O)CCCOCc1cc(C(C)C)cc(-c2ccc(C)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)c1C.Cc1cc(CN(Cc2cc(C)c(OCCCCC(=O)O)cc2-c2cc(C(C)C)ccc2C)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc(C)ccc2-c2cc(C(C)C)ccc2OCCCC(=O)O)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid?
The InChIKey is BEJHCERQTQOXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46F6N4O3.C40H47F3N4O4.C39H42F6N4O3.C38H43F3N4O4/c1-26(2)31-18-33(25-54-12-6-7-28(4)52)29(5)38(19-31)37-9-8-27(3)15-32(37)24-51(39-48-21-36(22-49-39)50-10-13-53-14-11-50)23-30-16-34(40(42,43)44)20-35(17-30)41(45,46)47;1-26(2)31-10-9-28(4)35(20-31)36-21-37(51-13-7-6-8-38(48)49)29(5)18-32(36)25-47(24-30-16-27(3)17-33(19-30)40(41,42)43)39-44-22-34(23-45-39)46-11-14-50-15-12-46;1-25-7-10-35(36-19-30(9-8-26(36)2)28(4)52-13-5-6-27(3)50)31(16-25)24-49(37-46-21-34(22-47-37)48-11-14-51-15-12-48)23-29-17-32(38(40,41)42)20-33(18-29)39(43,44)45;1-25(2)29-8-10-35(49-13-5-6-36(46)47)34(20-29)33-9-7-26(3)17-30(33)24-45(23-28-16-27(4)18-31(19-28)38(39,40)41)37-42-21-32(22-43-37)44-11-14-48-15-12-44/h8-9,15-22,26H,6-7,10-14,23-25H2,1-5H3;9-10,16-23,26H,6-8,11-15,24-25H2,1-5H3,(H,48,49);7-10,16-22,28H,5-6,11-15,23-24H2,1-4H3;7-10,16-22,25H,5-6,11-15,23-24H2,1-4H3,(H,46,47).
What are the key properties of 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid?
5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid has a molecular weight of 2867.22 g/mol, XLogP of 36.22, 54 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-4-methylphenyl]ethoxy]pentan-2-one;5-[[3-[2-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-4-methylphenyl]-2-methyl-5-propan-2-ylphenyl]methoxy]pentan-2-one;5-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenoxy]pentanoic acid;4-[2-[4-methyl-2-[[[3-methyl-5-(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]phenyl]-4-propan-2-ylphenoxy]butanoic acid is sourced from PubChem (CID 157322830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).