4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide

C163H167BrF5N7O28S3 — CID 159246009

IUPAC4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide
SMILESCCOc1ccc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.CCc1cc(-c2c(Br)sc3c(C)cccc23)nc(C(O)CCC(=O)c2ccc(OC)c(OC)c2)c1.CCc1cc(-c2c(C)sc3c(C)cccc23)nc(C(O)CCC(=O)c2ccc(OC)c(OC)c2)c1.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(F)F.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC1CC1.COc1cc(C(=O)CCC(O)c2cccc(-c3csc4c(C)cccc34)n2)ccc1OCC(N)=O
InChIInChI=1S/C29H31NO4S.C28H28BrNO4S.C28H30FNO5.C27H26N2O5S.C26H28FNO5.C25H24F3NO5/c1-6-19-14-22(25(32)12-11-24(31)20-10-13-26(33-4)27(16-20)34-5)30-23(15-19)28-18(3)35-29-17(2)8-7-9-21(28)29;1-5-17-13-20(23(32)11-10-22(31)18-9-12-24(33-3)25(15-18)34-4)30-21(14-17)26-19-8-6-7-16(2)27(19)35-28(26)29;1-17-14-20(6-8-21(17)29)28-26(33-2)13-9-22(30-28)24(32)11-10-23(31)19-7-12-25(27(15-19)34-3)35-16-18-4-5-18;1-16-5-3-6-18-19(15-35-27(16)18)20-7-4-8-21(29-20)23(31)11-10-22(30)17-9-12-24(25(13-17)33-2)34-14-26(28)32;1-5-33-23-12-7-17(15-25(23)32-4)21(29)10-11-22(30)20-9-13-24(31-3)26(28-20)18-6-8-19(27)16(2)14-18;1-14-12-16(4-6-17(14)26)24-22(32-2)11-7-18(29-24)20(31)9-8-19(30)15-5-10-21(34-25(27)28)23(13-15)33-3/h7-10,13-16,25,32H,6,11-12H2,1-5H3;6-9,12-15,23,32H,5,10-11H2,1-4H3;6-9,12-15,18,24,32H,4-5,10-11,16H2,1-3H3;3-9,12-13,15,23,31H,10-11,14H2,1-2H3,(H2,28,32);6-9,12-15,22,30H,5,10-11H2,1-4H3;4-7,10-13,20,25,31H,8-9H2,1-3H3
InChIKeyKURQGFNKDWRNGZ-UHFFFAOYSA-N
MW2943.24 g/mol
LogP35.53
Rot. Bonds59

About 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide

4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide (PubChem CID 159246009) has the molecular formula C163H167BrF5N7O28S3 and a molecular weight of 2943.24 g/mol. Its IUPAC name is 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide
PubChem CID159246009
Molecular FormulaC163H167BrF5N7O28S3
Molecular Weight2943.24 g/mol
Exact Mass2940.01
IUPAC Name4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide
SMILESCCOc1ccc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.CCc1cc(-c2c(Br)sc3c(C)cccc23)nc(C(O)CCC(=O)c2ccc(OC)c(OC)c2)c1.CCc1cc(-c2c(C)sc3c(C)cccc23)nc(C(O)CCC(=O)c2ccc(OC)c(OC)c2)c1.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(F)F.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC1CC1.COc1cc(C(=O)CCC(O)c2cccc(-c3csc4c(C)cccc34)n2)ccc1OCC(N)=O
InChIInChI=1S/C29H31NO4S.C28H28BrNO4S.C28H30FNO5.C27H26N2O5S.C26H28FNO5.C25H24F3NO5/c1-6-19-14-22(25(32)12-11-24(31)20-10-13-26(33-4)27(16-20)34-5)30-23(15-19)28-18(3)35-29-17(2)8-7-9-21(28)29;1-5-17-13-20(23(32)11-10-22(31)18-9-12-24(33-3)25(15-18)34-4)30-21(14-17)26-19-8-6-7-16(2)27(19)35-28(26)29;1-17-14-20(6-8-21(17)29)28-26(33-2)13-9-22(30-28)24(32)11-10-23(31)19-7-12-25(27(15-19)34-3)35-16-18-4-5-18;1-16-5-3-6-18-19(15-35-27(16)18)20-7-4-8-21(29-20)23(31)11-10-22(30)17-9-12-24(25(13-17)33-2)34-14-26(28)32;1-5-33-23-12-7-17(15-25(23)32-4)21(29)10-11-22(30)20-9-13-24(31-3)26(28-20)18-6-8-19(27)16(2)14-18;1-14-12-16(4-6-17(14)26)24-22(32-2)11-7-18(29-24)20(31)9-8-19(30)15-5-10-21(34-25(27)28)23(13-15)33-3/h7-10,13-16,25,32H,6,11-12H2,1-5H3;6-9,12-15,23,32H,5,10-11H2,1-4H3;6-9,12-15,18,24,32H,4-5,10-11,16H2,1-3H3;3-9,12-13,15,23,31H,10-11,14H2,1-2H3,(H2,28,32);6-9,12-15,22,30H,5,10-11H2,1-4H3;4-7,10-13,20,25,31H,8-9H2,1-3H3
InChIKeyKURQGFNKDWRNGZ-UHFFFAOYSA-N
XLogP35.53
TPSA482.68 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds59
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002943.24
LogP ≤ 535.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one
CID 159246010
4-(cyclopropylmethoxy)-N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxybenzamide
CID 144580146
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione
CID 167601025
1-(3,4-dimethoxyphenyl)-4-[4-ethyl-6-(7-fluoro-2-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione
CID 157121105
1-(3,4-dimethoxyphenyl)-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butane-1,4-dione
CID 131973643
1-(3,4-dimethoxyphenyl)-4-[2-(7-fluoro-1-benzothiophen-3-yl)-1,3-thiazol-4-yl]-4-hydroxybutan-1-one
CID 157188807
1-[5-(cyclopropylmethoxy)-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 149121262
2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]ethanol;2-bromo-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]ethanol;3,4-dimethoxybenzoic acid;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-propan-2-yl-2-pyridinyl]-4-hydroxybutan-1-one
CID 158367990
4-[7-(3-chloro-4-fluorophenyl)-3-methylfuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxybutan-1-one
CID 167707069
(4S)-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-4-[5-methoxy-6-(7-methyl-1H-indol-3-yl)-2-pyridinyl]pentan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-1H-indol-3-yl)-2-pyridinyl]pentan-1-one;(4S)-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-1H-indol-3-yl)-2-pyridinyl]pentan-1-one;(4R)-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[5-methoxy-6-(7-methyl-1H-indol-3-yl)-2-pyridinyl]pentan-1-one
CID 167595758
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
2-[2-methoxy-4-[[2-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]carbamoyl]phenoxy]acetic acid
CID 159292807

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide (CID 159246009) is 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide is CCOc1ccc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.CCc1cc(-c2c(Br)sc3c(C)cccc23)nc(C(O)CCC(=O)c2ccc(OC)c(OC)c2)c1.CCc1cc(-c2c(C)sc3c(C)cccc23)nc(C(O)CCC(=O)c2ccc(OC)c(OC)c2)c1.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(F)F.COc1cc(C(=O)CCC(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC1CC1.COc1cc(C(=O)CCC(O)c2cccc(-c3csc4c(C)cccc34)n2)ccc1OCC(N)=O.
What is the InChIKey of 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide?
The InChIKey is KURQGFNKDWRNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO4S.C28H28BrNO4S.C28H30FNO5.C27H26N2O5S.C26H28FNO5.C25H24F3NO5/c1-6-19-14-22(25(32)12-11-24(31)20-10-13-26(33-4)27(16-20)34-5)30-23(15-19)28-18(3)35-29-17(2)8-7-9-21(28)29;1-5-17-13-20(23(32)11-10-22(31)18-9-12-24(33-3)25(15-18)34-4)30-21(14-17)26-19-8-6-7-16(2)27(19)35-28(26)29;1-17-14-20(6-8-21(17)29)28-26(33-2)13-9-22(30-28)24(32)11-10-23(31)19-7-12-25(27(15-19)34-3)35-16-18-4-5-18;1-16-5-3-6-18-19(15-35-27(16)18)20-7-4-8-21(29-20)23(31)11-10-22(30)17-9-12-24(25(13-17)33-2)34-14-26(28)32;1-5-33-23-12-7-17(15-25(23)32-4)21(29)10-11-22(30)20-9-13-24(31-3)26(28-20)18-6-8-19(27)16(2)14-18;1-14-12-16(4-6-17(14)26)24-22(32-2)11-7-18(29-24)20(31)9-8-19(30)15-5-10-21(34-25(27)28)23(13-15)33-3/h7-10,13-16,25,32H,6,11-12H2,1-5H3;6-9,12-15,23,32H,5,10-11H2,1-4H3;6-9,12-15,18,24,32H,4-5,10-11,16H2,1-3H3;3-9,12-13,15,23,31H,10-11,14H2,1-2H3,(H2,28,32);6-9,12-15,22,30H,5,10-11H2,1-4H3;4-7,10-13,20,25,31H,8-9H2,1-3H3.
What are the key properties of 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide?
4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide has a molecular weight of 2943.24 g/mol, XLogP of 35.53, 59 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-bromo-7-methyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-1-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one;1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-(3,4-dimethoxyphenyl)-4-[6-(2,7-dimethyl-1-benzothiophen-3-yl)-4-ethyl-2-pyridinyl]-4-hydroxybutan-1-one;1-(4-ethoxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;2-[4-[4-hydroxy-4-[6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]butanoyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 159246009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).