4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide

C179H195F13N12O29 — CID 161029107

IUPAC4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(CC2CNC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(CN2CCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CNC2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c([C@@H](C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O
InChIInChI=1S/2C31H35FN2O5.C30H33FN2O5.C30H35FN2O4.C29H30F4N2O4.C28H27F5N2O6/c1-20-17-22(5-9-24(20)32)30-27(37-2)11-12-29(33-30)31(36,19-34-15-4-16-34)14-13-25(35)21-6-10-26(28(18-21)38-3)39-23-7-8-23;1-19-14-22(4-8-24(19)32)30-27(37-2)10-11-29(34-30)31(36,16-20-17-33-18-20)13-12-25(35)21-5-9-26(28(15-21)38-3)39-23-6-7-23;1-18-14-20(4-8-23(18)31)29-26(36-2)10-11-28(33-29)30(35,21-16-32-17-21)13-12-24(34)19-5-9-25(27(15-19)37-3)38-22-6-7-22;1-18-14-19(6-10-23(18)31)24-16-21(29(2,3)32)17-28(33-24)30(4,35)13-12-25(34)20-7-11-26(27(15-20)36-5)37-22-8-9-22;1-16-12-18(4-8-22(16)30)23-13-20(17(2)34)15-27(35-23)28(37,29(31,32)33)11-10-24(36)19-5-9-25(26(14-19)38-3)39-21-6-7-21;1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37/h5-6,9-12,17-18,23,36H,4,7-8,13-16,19H2,1-3H3;4-5,8-11,14-15,20,23,33,36H,6-7,12-13,16-18H2,1-3H3;4-5,8-11,14-15,21-22,32,35H,6-7,12-13,16-17H2,1-3H3;6-7,10-11,14-17,22,35H,8-9,12-13,32H2,1-5H3;4-5,8-9,12-15,17,21,37H,6-7,10-11,34H2,1-3H3;4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37)/t;;;;;15-,27?/m.....1/s1
InChIKeyTZJHNMIBURNKFZ-MIZSJZRDSA-N
MW3225.56 g/mol
LogP32.55
Rot. Bonds67

About 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide

4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide (PubChem CID 161029107) has the molecular formula C179H195F13N12O29 and a molecular weight of 3225.56 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
PubChem CID161029107
Molecular FormulaC179H195F13N12O29
Molecular Weight3225.56 g/mol
Exact Mass3223.39
IUPAC Name4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(CC2CNC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(CN2CCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CNC2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c([C@@H](C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O
InChIInChI=1S/2C31H35FN2O5.C30H33FN2O5.C30H35FN2O4.C29H30F4N2O4.C28H27F5N2O6/c1-20-17-22(5-9-24(20)32)30-27(37-2)11-12-29(33-30)31(36,19-34-15-4-16-34)14-13-25(35)21-6-10-26(28(18-21)38-3)39-23-7-8-23;1-19-14-22(4-8-24(19)32)30-27(37-2)10-11-29(34-30)31(36,16-20-17-33-18-20)13-12-25(35)21-5-9-26(28(15-21)38-3)39-23-6-7-23;1-18-14-20(4-8-23(18)31)29-26(36-2)10-11-28(33-29)30(35,21-16-32-17-21)13-12-24(34)19-5-9-25(27(15-19)37-3)38-22-6-7-22;1-18-14-19(6-10-23(18)31)24-16-21(29(2,3)32)17-28(33-24)30(4,35)13-12-25(34)20-7-11-26(27(15-20)36-5)37-22-8-9-22;1-16-12-18(4-8-22(16)30)23-13-20(17(2)34)15-27(35-23)28(37,29(31,32)33)11-10-24(36)19-5-9-25(26(14-19)38-3)39-21-6-7-21;1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37/h5-6,9-12,17-18,23,36H,4,7-8,13-16,19H2,1-3H3;4-5,8-11,14-15,20,23,33,36H,6-7,12-13,16-18H2,1-3H3;4-5,8-11,14-15,21-22,32,35H,6-7,12-13,16-17H2,1-3H3;6-7,10-11,14-17,22,35H,8-9,12-13,32H2,1-5H3;4-5,8-9,12-15,17,21,37H,6-7,10-11,34H2,1-3H3;4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37)/t;;;;;15-,27?/m.....1/s1
InChIKeyTZJHNMIBURNKFZ-MIZSJZRDSA-N
XLogP32.55
TPSA571.25 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds67
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003225.56
LogP ≤ 532.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Analyze 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide with MolForge

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Launch Full Analysis

Related Compounds

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-(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
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
4-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-5-methoxy-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;2-[2-[6-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-chloro-3-methoxy-4-pyridinyl]propan-2-ylamino]-1-phenylethanone;benzyl N-[2-[2-chloro-6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;benzyl N-[2-[6-[5-(4-cyclopropyloxy-3-methoxyphenyl)-2-hydroxy-5-oxopentan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate;2-[2-[2-chloro-3-methoxy-6-(1,1,1-trifluoro-2-hydroxy-3-nitropropan-2-yl)-4-pyridinyl]propan-2-ylamino]-1-phenylethanone
CID 157288933
1-(4-Cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxypentan-1-one;1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-hydroxy-4-[5-methoxy-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one;4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]acetamide;3-[4-[4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;3-[2-methoxy-4-[5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]piperidin-2-one;5,5,5-trifluoro-4-[8-(4-fluoro-3-methylphenyl)-4,4-dimethyl-2,3-dihydropyrano[2,3-c]pyridin-6-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one
CID 157297350
4-[4-(aminomethyl)-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]-1-[4-(2,2-difluorocyclopropyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-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-1-[4-(3-fluorocyclobutyl)oxy-3-methoxyphenyl]-4-hydroxypentan-1-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;N-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]acetamide
CID 157400253
4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;4-[4-(2-aminopropan-2-yl)-6-(6-methyl-3-pyridinyl)-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-(3-hydroxy-1-methylcyclobutyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one
CID 157411608
(4R)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-methyl-7-(4-methylidenecyclohexa-1,5-dien-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(4-methylphenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]pentan-1-one;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one
CID 157724860
1-(4-cyclobutyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;(4R)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-[4-(3,3-difluorocyclobutyl)oxy-3-methoxyphenyl]-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-1-[4-[1-(fluoromethyl)cyclopropyl]oxy-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1-methylcyclopropyl)oxyphenyl]pentan-1-one
CID 158390286
4-[4-(Azetidin-3-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(azetidin-3-yl)-6-(4-fluorophenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[6-(3-chloro-4-fluorophenyl)-4-[1-(2-phenylethyl)azetidin-3-yl]-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one
CID 158649118
1-(4-Cyclopropyloxy-3-methoxyphenyl)-4-[4-(1,3-dimethylpyrrolidin-3-yl)-6-(4-methylphenyl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-2-yl)-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(2-methylazetidin-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;5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[4-(2-methylazetidin-2-yl)-6-(4-methylphenyl)-2-pyridinyl]pentan-1-one
CID 158674772
Methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
CID 158686280

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The IUPAC name of 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide (CID 161029107) is 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide.
What is the SMILES notation for 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The canonical SMILES for 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide is COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(CC2CNC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(CN2CCC2)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CNC2)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c([C@@H](C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.
What is the InChIKey of 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
The InChIKey is TZJHNMIBURNKFZ-MIZSJZRDSA-N. The full InChI is InChI=1S/2C31H35FN2O5.C30H33FN2O5.C30H35FN2O4.C29H30F4N2O4.C28H27F5N2O6/c1-20-17-22(5-9-24(20)32)30-27(37-2)11-12-29(33-30)31(36,19-34-15-4-16-34)14-13-25(35)21-6-10-26(28(18-21)38-3)39-23-7-8-23;1-19-14-22(4-8-24(19)32)30-27(37-2)10-11-29(34-30)31(36,16-20-17-33-18-20)13-12-25(35)21-5-9-26(28(15-21)38-3)39-23-6-7-23;1-18-14-20(4-8-23(18)31)29-26(36-2)10-11-28(33-29)30(35,21-16-32-17-21)13-12-24(34)19-5-9-25(27(15-19)37-3)38-22-6-7-22;1-18-14-19(6-10-23(18)31)24-16-21(29(2,3)32)17-28(33-24)30(4,35)13-12-25(34)20-7-11-26(27(15-20)36-5)37-22-8-9-22;1-16-12-18(4-8-22(16)30)23-13-20(17(2)34)15-27(35-23)28(37,29(31,32)33)11-10-24(36)19-5-9-25(26(14-19)38-3)39-21-6-7-21;1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37/h5-6,9-12,17-18,23,36H,4,7-8,13-16,19H2,1-3H3;4-5,8-11,14-15,20,23,33,36H,6-7,12-13,16-18H2,1-3H3;4-5,8-11,14-15,21-22,32,35H,6-7,12-13,16-17H2,1-3H3;6-7,10-11,14-17,22,35H,8-9,12-13,32H2,1-5H3;4-5,8-9,12-15,17,21,37H,6-7,10-11,34H2,1-3H3;4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37)/t;;;;;15-,27?/m.....1/s1.
What are the key properties of 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide?
4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide has a molecular weight of 3225.56 g/mol, XLogP of 32.55, 67 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)-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]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;5-(azetidin-1-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;5-(azetidin-3-yl)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-[(1R)-1-fluoroethyl]phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide is sourced from PubChem (CID 161029107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).