4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C203H222ClF7N10O40 — CID 157135652

IUPAC4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(O)(CF)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(CN)cc(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1CCCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(C3COc4c(C)cccc43)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O.COc1ccc(C(O)(CCC(=O)c2ccc(OCCO)c(Cl)c2)C2CC2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C31H35NO7.C30H34FNO5.2C29H31FN2O6.C29H33FN2O5.C28H29ClFNO5.C27H29F2NO6/c1-19-5-4-6-22-23(18-39-30(19)22)29-26(36-2)11-12-28(32-29)31(35,21-8-9-21)14-13-24(34)20-7-10-25(38-16-15-33)27(17-20)37-3;1-19-17-22(8-11-24(19)31)29-26(36-2)12-13-28(32-29)30(35,23-9-10-23)15-14-25(34)21-7-6-20(5-4-16-33)27(18-21)37-3;2*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;1-18-13-20(3-7-23(18)30)24-14-19(17-31)15-28(32-24)29(35,22-5-6-22)10-9-25(34)21-4-8-26(37-12-11-33)27(16-21)36-2;1-17-15-19(3-7-22(17)30)27-25(35-2)9-10-26(31-27)28(34,20-5-6-20)12-11-23(33)18-4-8-24(21(29)16-18)36-14-13-32;1-17-14-19(4-6-20(17)29)26-23(34-2)8-9-25(30-26)27(33,16-28)11-10-21(32)18-5-7-22(36-13-12-31)24(15-18)35-3/h4-7,10-12,17,21,23,33,35H,8-9,13-16,18H2,1-3H3;6-8,11-13,17-18,23,33,35H,4-5,9-10,14-16H2,1-3H3;2*4-5,8-11,14-15,20,35H,6-7,12-13,16H2,1-3H3,(H2,31,34);3-4,7-8,13-16,22,33,35H,5-6,9-12,17,31H2,1-2H3;3-4,7-10,15-16,20,32,34H,5-6,11-14H2,1-2H3;4-9,14-15,31,33H,10-13,16H2,1-3H3/t;;29-;;;;/m..0..../s1
InChIKeyAJOXKEUVBSDSNM-KARSUQMMSA-N
MW3610.48 g/mol
LogP32.83
Rot. Bonds83

About 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 157135652) has the molecular formula C203H222ClF7N10O40 and a molecular weight of 3610.48 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
PubChem CID157135652
Molecular FormulaC203H222ClF7N10O40
Molecular Weight3610.48 g/mol
Exact Mass3607.52
IUPAC Name4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(O)(CF)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(CN)cc(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1CCCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(C3COc4c(C)cccc43)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O.COc1ccc(C(O)(CCC(=O)c2ccc(OCCO)c(Cl)c2)C2CC2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C31H35NO7.C30H34FNO5.2C29H31FN2O6.C29H33FN2O5.C28H29ClFNO5.C27H29F2NO6/c1-19-5-4-6-22-23(18-39-30(19)22)29-26(36-2)11-12-28(32-29)31(35,21-8-9-21)14-13-24(34)20-7-10-25(38-16-15-33)27(17-20)37-3;1-19-17-22(8-11-24(19)31)29-26(36-2)12-13-28(32-29)30(35,23-9-10-23)15-14-25(34)21-7-6-20(5-4-16-33)27(18-21)37-3;2*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;1-18-13-20(3-7-23(18)30)24-14-19(17-31)15-28(32-24)29(35,22-5-6-22)10-9-25(34)21-4-8-26(37-12-11-33)27(16-21)36-2;1-17-15-19(3-7-22(17)30)27-25(35-2)9-10-26(31-27)28(34,20-5-6-20)12-11-23(33)18-4-8-24(21(29)16-18)36-14-13-32;1-17-14-19(4-6-20(17)29)26-23(34-2)8-9-25(30-26)27(33,16-28)11-10-21(32)18-5-7-22(36-13-12-31)24(15-18)35-3/h4-7,10-12,17,21,23,33,35H,8-9,13-16,18H2,1-3H3;6-8,11-13,17-18,23,33,35H,4-5,9-10,14-16H2,1-3H3;2*4-5,8-11,14-15,20,35H,6-7,12-13,16H2,1-3H3,(H2,31,34);3-4,7-8,13-16,22,33,35H,5-6,9-12,17,31H2,1-2H3;3-4,7-10,15-16,20,32,34H,5-6,11-14H2,1-2H3;4-9,14-15,31,33H,10-13,16H2,1-3H3/t;;29-;;;;/m..0..../s1
InChIKeyAJOXKEUVBSDSNM-KARSUQMMSA-N
XLogP32.83
TPSA740.05 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds83
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003610.48
LogP ≤ 532.83
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 157135652) is 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is COc1cc(C(=O)CCC(O)(CF)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(CN)cc(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1CCCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(C3COc4c(C)cccc43)n2)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCC(N)=O.COc1ccc(C(O)(CCC(=O)c2ccc(OCCO)c(Cl)c2)C2CC2)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is AJOXKEUVBSDSNM-KARSUQMMSA-N. The full InChI is InChI=1S/C31H35NO7.C30H34FNO5.2C29H31FN2O6.C29H33FN2O5.C28H29ClFNO5.C27H29F2NO6/c1-19-5-4-6-22-23(18-39-30(19)22)29-26(36-2)11-12-28(32-29)31(35,21-8-9-21)14-13-24(34)20-7-10-25(38-16-15-33)27(17-20)37-3;1-19-17-22(8-11-24(19)31)29-26(36-2)12-13-28(32-29)30(35,23-9-10-23)15-14-25(34)21-7-6-20(5-4-16-33)27(18-21)37-3;2*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;1-18-13-20(3-7-23(18)30)24-14-19(17-31)15-28(32-24)29(35,22-5-6-22)10-9-25(34)21-4-8-26(37-12-11-33)27(16-21)36-2;1-17-15-19(3-7-22(17)30)27-25(35-2)9-10-26(31-27)28(34,20-5-6-20)12-11-23(33)18-4-8-24(21(29)16-18)36-14-13-32;1-17-14-19(4-6-20(17)29)26-23(34-2)8-9-25(30-26)27(33,16-28)11-10-21(32)18-5-7-22(36-13-12-31)24(15-18)35-3/h4-7,10-12,17,21,23,33,35H,8-9,13-16,18H2,1-3H3;6-8,11-13,17-18,23,33,35H,4-5,9-10,14-16H2,1-3H3;2*4-5,8-11,14-15,20,35H,6-7,12-13,16H2,1-3H3,(H2,31,34);3-4,7-8,13-16,22,33,35H,5-6,9-12,17,31H2,1-2H3;3-4,7-10,15-16,20,32,34H,5-6,11-14H2,1-2H3;4-9,14-15,31,33H,10-13,16H2,1-3H3/t;;29-;;;;/m..0..../s1.
What are the key properties of 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 3610.48 g/mol, XLogP of 32.83, 83 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;2-[4-[4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutanoyl]-2-methoxyphenoxy]acetamide;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(3-hydroxypropyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-pyridinyl]butan-1-one;5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 157135652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).