4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide

C198H215F13N8O35 — CID 158840575

IUPAC4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide
SMILESCC#CC(O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CCC(O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CC[C@@](O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CC[C@](O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CNC(=O)COc1ccc(C(=O)CCC(C)(O)c2cccc(-c3ccc(F)c(C)c3)n2)cc1OC.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(C)C)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCF
InChIInChI=1S/C29H31F2NO5.C29H33F2NO5.C29H29F2NO5.3C28H31F2NO5.C27H29FN2O5/c1-18-16-20(4-8-22(18)31)28-25(35-2)10-11-27(32-28)29(34,21-6-7-21)13-12-23(33)19-5-9-24(37-15-14-30)26(17-19)36-3;1-18(2)29(34,13-12-23(33)20-7-9-24(37-15-14-30)26(17-20)36-5)27-11-10-25(35-4)28(32-27)21-6-8-22(31)19(3)16-21;1-5-13-29(34,14-12-23(33)20-7-9-24(37-16-15-30)26(18-20)36-4)27-11-10-25(35-3)28(32-27)21-6-8-22(31)19(2)17-21;3*1-5-28(33,13-12-22(32)19-7-9-23(36-15-14-29)25(17-19)35-4)26-11-10-24(34-3)27(31-26)20-6-8-21(30)18(2)16-20;1-17-14-18(8-10-20(17)28)21-6-5-7-25(30-21)27(2,33)13-12-22(31)19-9-11-23(24(15-19)34-4)35-16-26(32)29-3/h4-5,8-11,16-17,21,34H,6-7,12-15H2,1-3H3;6-11,16-18,34H,12-15H2,1-5H3;6-11,17-18,34H,12,14-16H2,1-4H3;3*6-11,16-17,33H,5,12-15H2,1-4H3;5-11,14-15,33H,12-13,16H2,1-4H3,(H,29,32)/t;;;2*28-;;/m...10../s1
InChIKeyIYEMXWQZVLGKCC-YSNIXFOHSA-N
MW3513.89 g/mol
LogP38.99
Rot. Bonds81

About 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide

4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide (PubChem CID 158840575) has the molecular formula C198H215F13N8O35 and a molecular weight of 3513.89 g/mol. Its IUPAC name is 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide
PubChem CID158840575
Molecular FormulaC198H215F13N8O35
Molecular Weight3513.89 g/mol
Exact Mass3511.51
IUPAC Name4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide
SMILESCC#CC(O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CCC(O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CC[C@@](O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CC[C@](O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CNC(=O)COc1ccc(C(=O)CCC(C)(O)c2cccc(-c3ccc(F)c(C)c3)n2)cc1OC.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(C)C)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCF
InChIInChI=1S/C29H31F2NO5.C29H33F2NO5.C29H29F2NO5.3C28H31F2NO5.C27H29FN2O5/c1-18-16-20(4-8-22(18)31)28-25(35-2)10-11-27(32-28)29(34,21-6-7-21)13-12-23(33)19-5-9-24(37-15-14-30)26(17-19)36-3;1-18(2)29(34,13-12-23(33)20-7-9-24(37-15-14-30)26(17-20)36-5)27-11-10-25(35-4)28(32-27)21-6-8-22(31)19(3)16-21;1-5-13-29(34,14-12-23(33)20-7-9-24(37-16-15-30)26(18-20)36-4)27-11-10-25(35-3)28(32-27)21-6-8-22(31)19(2)17-21;3*1-5-28(33,13-12-22(32)19-7-9-23(36-15-14-29)25(17-19)35-4)26-11-10-24(34-3)27(31-26)20-6-8-21(30)18(2)16-20;1-17-14-18(8-10-20(17)28)21-6-5-7-25(30-21)27(2,33)13-12-22(31)19-9-11-23(24(15-19)34-4)35-16-26(32)29-3/h4-5,8-11,16-17,21,34H,6-7,12-15H2,1-3H3;6-11,16-18,34H,12-15H2,1-5H3;6-11,17-18,34H,12,14-16H2,1-4H3;3*6-11,16-17,33H,5,12-15H2,1-4H3;5-11,14-15,33H,12-13,16H2,1-4H3,(H,29,32)/t;;;2*28-;;/m...10../s1
InChIKeyIYEMXWQZVLGKCC-YSNIXFOHSA-N
XLogP38.99
TPSA565.03 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds81
Heavy Atoms254
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003513.89
LogP ≤ 538.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide?
The IUPAC name of 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide (CID 158840575) is 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide.
What is the SMILES notation for 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide?
The canonical SMILES for 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide is CC#CC(O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CCC(O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CC[C@@](O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CC[C@](O)(CCC(=O)c1ccc(OCCF)c(OC)c1)c1ccc(OC)c(-c2ccc(F)c(C)c2)n1.CNC(=O)COc1ccc(C(=O)CCC(C)(O)c2cccc(-c3ccc(F)c(C)c3)n2)cc1OC.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(C)C)ccc1OCCF.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCF.
What is the InChIKey of 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide?
The InChIKey is IYEMXWQZVLGKCC-YSNIXFOHSA-N. The full InChI is InChI=1S/C29H31F2NO5.C29H33F2NO5.C29H29F2NO5.3C28H31F2NO5.C27H29FN2O5/c1-18-16-20(4-8-22(18)31)28-25(35-2)10-11-27(32-28)29(34,21-6-7-21)13-12-23(33)19-5-9-24(37-15-14-30)26(17-19)36-3;1-18(2)29(34,13-12-23(33)20-7-9-24(37-15-14-30)26(17-20)36-5)27-11-10-25(35-4)28(32-27)21-6-8-22(31)19(3)16-21;1-5-13-29(34,14-12-23(33)20-7-9-24(37-16-15-30)26(18-20)36-4)27-11-10-25(35-3)28(32-27)21-6-8-22(31)19(2)17-21;3*1-5-28(33,13-12-22(32)19-7-9-23(36-15-14-29)25(17-19)35-4)26-11-10-24(34-3)27(31-26)20-6-8-21(30)18(2)16-20;1-17-14-18(8-10-20(17)28)21-6-5-7-25(30-21)27(2,33)13-12-22(31)19-9-11-23(24(15-19)34-4)35-16-26(32)29-3/h4-5,8-11,16-17,21,34H,6-7,12-15H2,1-3H3;6-11,16-18,34H,12-15H2,1-5H3;6-11,17-18,34H,12,14-16H2,1-4H3;3*6-11,16-17,33H,5,12-15H2,1-4H3;5-11,14-15,33H,12-13,16H2,1-4H3,(H,29,32)/t;;;2*28-;;/m...10../s1.
What are the key properties of 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide?
4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide has a molecular weight of 3513.89 g/mol, XLogP of 38.99, 81 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhept-5-yn-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4S)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;(4R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxyhexan-1-one;1-[4-(2-fluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-5-methylhexan-1-one;2-[4-[4-[6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]-N-methylacetamide is sourced from PubChem (CID 158840575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).