4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide

C188H200ClF21N12O31 — CID 157281477

IUPAC4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)CN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N(C)C)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(C)(C)O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(-c3ccc(F)c(Cl)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O
InChIInChI=1S/C37H35ClF4N2O6.C32H36F4N2O4.C31H36F4N2O5.C31H34F4N2O4.C29H31FN2O6.C28H28F4N2O6/c1-35(2,44-34(46)49-21-22-7-5-4-6-8-22)25-19-29(23-9-13-28(39)27(38)17-23)43-33(20-25)36(47,37(40,41)42)16-15-30(45)24-10-14-31(32(18-24)48-3)50-26-11-12-26;1-19-15-20(7-11-24(19)33)25-17-22(30(2,3)38(4)5)18-29(37-25)31(40,32(34,35)36)14-13-26(39)21-8-12-27(28(16-21)41-6)42-23-9-10-23;1-18-13-19(7-9-22(18)32)23-15-21(29(4,5)36)16-27(37-23)30(40,31(33,34)35)12-11-24(38)20-8-10-25(26(14-20)41-6)42-17-28(2,3)39;1-18-13-19(5-9-23(18)32)24-15-21(29(2,3)17-36)16-28(37-24)30(39,31(33,34)35)12-11-25(38)20-6-10-26(27(14-20)40-4)41-22-7-8-22;1-17-14-19(4-8-21(17)30)28-24(36-2)10-11-26(32-28)29(35,20-6-7-20)13-12-22(33)18-5-9-23(25(15-18)37-3)38-16-27(31)34;1-16-13-18(5-7-19(16)29)26-22(38-3)9-10-24(34-26)27(37,28(30,31)32)12-11-20(35)17-6-8-21(23(14-17)39-4)40-15-25(36)33-2/h4-10,13-14,17-20,26,47H,11-12,15-16,21H2,1-3H3,(H,44,46);7-8,11-12,15-18,23,40H,9-10,13-14H2,1-6H3;7-10,13-16,39-40H,11-12,17,36H2,1-6H3;5-6,9-10,13-16,22,39H,7-8,11-12,17,36H2,1-4H3;4-5,8-11,14-15,20,35H,6-7,12-13,16H2,1-3H3,(H2,31,34);5-10,13-14,37H,11-12,15H2,1-4H3,(H,33,36)
InChIKeyAZSHHUWLVNWWPG-UHFFFAOYSA-N
MW3558.13 g/mol
LogP37.07
Rot. Bonds69

About 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide

4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide (PubChem CID 157281477) has the molecular formula C188H200ClF21N12O31 and a molecular weight of 3558.13 g/mol. Its IUPAC name is 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide
PubChem CID157281477
Molecular FormulaC188H200ClF21N12O31
Molecular Weight3558.13 g/mol
Exact Mass3555.38
IUPAC Name4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)CN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N(C)C)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(C)(C)O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(-c3ccc(F)c(Cl)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O
InChIInChI=1S/C37H35ClF4N2O6.C32H36F4N2O4.C31H36F4N2O5.C31H34F4N2O4.C29H31FN2O6.C28H28F4N2O6/c1-35(2,44-34(46)49-21-22-7-5-4-6-8-22)25-19-29(23-9-13-28(39)27(38)17-23)43-33(20-25)36(47,37(40,41)42)16-15-30(45)24-10-14-31(32(18-24)48-3)50-26-11-12-26;1-19-15-20(7-11-24(19)33)25-17-22(30(2,3)38(4)5)18-29(37-25)31(40,32(34,35)36)14-13-26(39)21-8-12-27(28(16-21)41-6)42-23-9-10-23;1-18-13-19(7-9-22(18)32)23-15-21(29(4,5)36)16-27(37-23)30(40,31(33,34)35)12-11-24(38)20-8-10-25(26(14-20)41-6)42-17-28(2,3)39;1-18-13-19(5-9-23(18)32)24-15-21(29(2,3)17-36)16-28(37-24)30(39,31(33,34)35)12-11-25(38)20-6-10-26(27(14-20)40-4)41-22-7-8-22;1-17-14-19(4-8-21(17)30)28-24(36-2)10-11-26(32-28)29(35,20-6-7-20)13-12-22(33)18-5-9-23(25(15-18)37-3)38-16-27(31)34;1-16-13-18(5-7-19(16)29)26-22(38-3)9-10-24(34-26)27(37,28(30,31)32)12-11-20(35)17-6-8-21(23(14-17)39-4)40-15-25(36)33-2/h4-10,13-14,17-20,26,47H,11-12,15-16,21H2,1-3H3,(H,44,46);7-8,11-12,15-18,23,40H,9-10,13-14H2,1-6H3;7-10,13-16,39-40H,11-12,17,36H2,1-6H3;5-6,9-10,13-16,22,39H,7-8,11-12,17,36H2,1-4H3;4-5,8-11,14-15,20,35H,6-7,12-13,16H2,1-3H3,(H2,31,34);5-10,13-14,37H,11-12,15H2,1-4H3,(H,33,36)
InChIKeyAZSHHUWLVNWWPG-UHFFFAOYSA-N
XLogP37.07
TPSA616.39 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds69
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003558.13
LogP ≤ 537.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

Tert-butyl 2-[4-[[2-[6-(3-chloro-4-fluorophenyl)-4-[2-(phenylmethoxycarbonylamino)propan-2-yl]-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 117924694
benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[1,1,1-trifluoro-2-hydroxy-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]benzoyl]amino]propan-2-yl]-4-pyridinyl]propan-2-yl]carbamate
CID 117924859
benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridin-4-yl]propan-2-yl]carbamate
CID 117936544
benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-4-pyridinyl]-1-methoxypropan-2-yl]carbamate
CID 117936571
benzyl N-[2-[2-[3-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate
CID 117936745
Methyl 2-[2-(3-chloro-4-fluorophenyl)-6-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-4-pyridinyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 117936821
benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-4-pyridinyl]-1-fluoropropan-2-yl]carbamate
CID 117937045
(21-chloro-7-cyclopropyl-7-hydroxy-3-methoxy-10-oxo-15-oxa-9,27-diazatetracyclo[18.2.2.211,14.12,6]heptacosa-1(22),2,4,6(27),11,13,20,23,25-nonaen-19-yl)methyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-4-pyridinyl]propan-2-yl]carbamate
CID 144795873
4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]-1-fluoropropan-2-yl]carbamate;4-[(2R)-2-hydroxypropoxy]-3-methoxybenzoic acid;hydrochloride
CID 157053007
2-[4-[4-[4-(2-Aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetic acid;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-[2-(cyclobutylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(oxetan-3-ylamino)propan-2-yl]-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-piperidin-4-yl-2-pyridinyl]-4-hydroxypentan-1-one
CID 157131388
4-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;4-(2-hydroxyethoxy)-3-methoxybenzoic acid;hydrochloride
CID 157172222
4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-cyclopropyloxy-4-(2-hydroxyethoxy)phenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;tert-butyl N-[2-[2-(1-amino-2-hydroxypropan-2-yl)-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;tert-butyl N-[2-[2-[5-[3-cyclopropyloxy-4-(2-hydroxyethoxy)phenyl]-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluorophenyl)-4-pyridinyl]propan-2-yl]carbamate;3-cyclopropyloxy-4-(2-hydroxyethoxy)benzoic acid
CID 157199239

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide?
The IUPAC name of 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide (CID 157281477) is 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)CN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N(C)C)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCC(C)(C)O.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)NC(=O)OCc3ccccc3)cc(-c3ccc(F)c(Cl)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O.
What is the InChIKey of 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide?
The InChIKey is AZSHHUWLVNWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35ClF4N2O6.C32H36F4N2O4.C31H36F4N2O5.C31H34F4N2O4.C29H31FN2O6.C28H28F4N2O6/c1-35(2,44-34(46)49-21-22-7-5-4-6-8-22)25-19-29(23-9-13-28(39)27(38)17-23)43-33(20-25)36(47,37(40,41)42)16-15-30(45)24-10-14-31(32(18-24)48-3)50-26-11-12-26;1-19-15-20(7-11-24(19)33)25-17-22(30(2,3)38(4)5)18-29(37-25)31(40,32(34,35)36)14-13-26(39)21-8-12-27(28(16-21)41-6)42-23-9-10-23;1-18-13-19(7-9-22(18)32)23-15-21(29(4,5)36)16-27(37-23)30(40,31(33,34)35)12-11-24(38)20-8-10-25(26(14-20)41-6)42-17-28(2,3)39;1-18-13-19(5-9-23(18)32)24-15-21(29(2,3)17-36)16-28(37-24)30(39,31(33,34)35)12-11-25(38)20-6-10-26(27(14-20)40-4)41-22-7-8-22;1-17-14-19(4-8-21(17)30)28-24(36-2)10-11-26(32-28)29(35,20-6-7-20)13-12-22(33)18-5-9-23(25(15-18)37-3)38-16-27(31)34;1-16-13-18(5-7-19(16)29)26-22(38-3)9-10-24(34-26)27(37,28(30,31)32)12-11-20(35)17-6-8-21(23(14-17)39-4)40-15-25(36)33-2/h4-10,13-14,17-20,26,47H,11-12,15-16,21H2,1-3H3,(H,44,46);7-8,11-12,15-18,23,40H,9-10,13-14H2,1-6H3;7-10,13-16,39-40H,11-12,17,36H2,1-6H3;5-6,9-10,13-16,22,39H,7-8,11-12,17,36H2,1-4H3;4-5,8-11,14-15,20,35H,6-7,12-13,16H2,1-3H3,(H2,31,34);5-10,13-14,37H,11-12,15H2,1-4H3,(H,33,36).
What are the key properties of 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide?
4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide has a molecular weight of 3558.13 g/mol, XLogP of 37.07, 69 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pentan-1-one;benzyl N-[2-[2-(3-chloro-4-fluorophenyl)-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-4-pyridinyl]propan-2-yl]carbamate;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[4-[2-(dimethylamino)propan-2-yl]-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 157281477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).