(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

C170H186F4N10O33 — CID 167595758

IUPAC(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
SMILESCCOc1ccc(C(=O)CC[C@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)cc1OC.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO
InChIInChI=1S/3C29H32N2O6.C29H32N2O5.2C27H29F2NO5/c3*1-18-6-5-7-20-21(17-30-27(18)20)28-24(35-3)10-11-26(31-28)29(2,34)13-12-22(33)19-8-9-23(37-15-14-32)25(16-19)36-4;1-6-36-23-11-10-19(16-25(23)35-5)22(32)14-15-29(3,33)26-13-12-24(34-4)28(31-26)21-17-30-27-18(2)8-7-9-20(21)27;2*1-17-15-19(5-7-20(17)29)26-23(33-3)9-10-25(30-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-28)24(16-18)34-4/h3*5-11,16-17,30,32,34H,12-15H2,1-4H3;7-13,16-17,30,33H,6,14-15H2,1-5H3;2*5-10,15-16,32H,11-14H2,1-4H3/t2*29-;;29-;27-;/m10.01./s1
InChIKeyJAUUSZQJGQSYFA-BIZFFQFPSA-N
MW2973.39 g/mol
LogP31.08
Rot. Bonds65

About (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

(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 (PubChem CID 167595758) has the molecular formula C170H186F4N10O33 and a molecular weight of 2973.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167595758
Molecular FormulaC170H186F4N10O33
Molecular Weight2973.39 g/mol
Exact Mass2971.31
IUPAC Name(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
SMILESCCOc1ccc(C(=O)CC[C@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)cc1OC.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO
InChIInChI=1S/3C29H32N2O6.C29H32N2O5.2C27H29F2NO5/c3*1-18-6-5-7-20-21(17-30-27(18)20)28-24(35-3)10-11-26(31-28)29(2,34)13-12-22(33)19-8-9-23(37-15-14-32)25(16-19)36-4;1-6-36-23-11-10-19(16-25(23)35-5)22(32)14-15-29(3,33)26-13-12-24(34-4)28(31-26)21-17-30-27-18(2)8-7-9-20(21)27;2*1-17-15-19(5-7-20(17)29)26-23(33-3)9-10-25(30-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-28)24(16-18)34-4/h3*5-11,16-17,30,32,34H,12-15H2,1-4H3;7-13,16-17,30,33H,6,14-15H2,1-5H3;2*5-10,15-16,32H,11-14H2,1-4H3/t2*29-;;29-;27-;/m10.01./s1
InChIKeyJAUUSZQJGQSYFA-BIZFFQFPSA-N
XLogP31.08
TPSA591.13 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds65
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002973.39
LogP ≤ 531.08
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one
CID 158874415
4-[3,3-dimethyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one
CID 158718149
4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158184316
(4R)-4-[6-(2,7-dimethyl-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 158446167
4-[4-(4-fluoro-3-methylphenyl)-5-methoxypyrimidin-2-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
CID 162241747
(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158950146
4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[3-methyl-7-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]pentan-1-one
CID 159189248
4-(2-fluoroethoxy)-N-[2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propyl]-3-methoxybenzamide
CID 144795793
4-amino-1-(4-cyclopropyloxy-3-methoxyphenyl)-5-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;4-amino-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;4-[4-(2-aminopropan-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-(7-methyl-1H-indol-3-yl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one
CID 160938242
4-cyclopropyl-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-[7-(7-methyl-1H-indol-3-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]butan-1-one
CID 167555451
4-[7-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-hydroxypentan-1-one
CID 162103583
1-[4-tert-butyl-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 167601027

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCOc1ccc(C(=O)CC[C@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)cc1OC.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO.COc1cc(C(=O)CC[C@@](C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCF.COc1cc(C(=O)CC[C@](C)(O)c2ccc(OC)c(-c3c[nH]c4c(C)cccc34)n2)ccc1OCCO.
What is the InChIKey of (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?
The InChIKey is JAUUSZQJGQSYFA-BIZFFQFPSA-N. The full InChI is InChI=1S/3C29H32N2O6.C29H32N2O5.2C27H29F2NO5/c3*1-18-6-5-7-20-21(17-30-27(18)20)28-24(35-3)10-11-26(31-28)29(2,34)13-12-22(33)19-8-9-23(37-15-14-32)25(16-19)36-4;1-6-36-23-11-10-19(16-25(23)35-5)22(32)14-15-29(3,33)26-13-12-24(34-4)28(31-26)21-17-30-27-18(2)8-7-9-20(21)27;2*1-17-15-19(5-7-20(17)29)26-23(33-3)9-10-25(30-26)27(2,32)12-11-21(31)18-6-8-22(35-14-13-28)24(16-18)34-4/h3*5-11,16-17,30,32,34H,12-15H2,1-4H3;7-13,16-17,30,33H,6,14-15H2,1-5H3;2*5-10,15-16,32H,11-14H2,1-4H3/t2*29-;;29-;27-;/m10.01./s1.
What are the key properties of (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?
(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 has a molecular weight of 2973.39 g/mol, XLogP of 31.08, 65 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167595758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).