1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one

C194H198F22I2N10O39 — CID 160929269

IUPAC1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one
SMILESCNc1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OC3CC3)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(C)c(I)c3)n2)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(C)c(I)c3)n2)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(N)=O
InChIInChI=1S/C28H28F4N2O4.2C28H29F3INO6.C28H30F3NO6.C28H28F3NO5.2C27H27F3N2O6/c1-16-12-17(4-8-21(16)29)22-14-19(33-2)15-26(34-22)27(36,28(30,31)32)11-10-23(35)18-5-9-24(25(13-18)37-3)38-20-6-7-20;2*1-16-5-6-19(13-20(16)32)26-23(37-3)9-10-25(33-26)27(36,28(29,30)31)12-11-21(35)18-7-8-22(24(14-18)38-4)39-15-17(2)34;1-16-13-19(5-7-20(16)29)26-23(36-3)9-10-25(32-26)28(35,27(30)31)12-11-21(34)18-6-8-22(24(14-18)37-4)38-15-17(2)33;1-16-14-18(4-8-20(16)29)26-23(35-2)10-11-25(32-26)28(34,27(30)31)13-12-21(33)17-5-9-22(24(15-17)36-3)37-19-6-7-19;2*1-15-12-17(4-6-18(15)28)25-21(36-2)8-9-23(32-25)27(35,26(29)30)11-10-19(33)16-5-7-20(22(13-16)37-3)38-14-24(31)34/h4-5,8-9,12-15,20,36H,6-7,10-11H2,1-3H3,(H,33,34);2*5-10,13-14,17,34,36H,11-12,15H2,1-4H3;5-10,13-14,17,27,33,35H,11-12,15H2,1-4H3;4-5,8-11,14-15,19,27,34H,6-7,12-13H2,1-3H3;2*4-9,12-13,26,35H,10-11,14H2,1-3H3,(H2,31,34)/t;2*17?,27-;;;2*27-/m.10..10/s1
InChIKeySTAWOYODSRCBSI-XKRNABCESA-N
MW3965.51 g/mol
LogP37.25
Rot. Bonds79

About 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one

1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one (PubChem CID 160929269) has the molecular formula C194H198F22I2N10O39 and a molecular weight of 3965.51 g/mol. Its IUPAC name is 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one
PubChem CID160929269
Molecular FormulaC194H198F22I2N10O39
Molecular Weight3965.51 g/mol
Exact Mass3963.16
IUPAC Name1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one
SMILESCNc1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OC3CC3)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(C)c(I)c3)n2)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(C)c(I)c3)n2)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(N)=O
InChIInChI=1S/C28H28F4N2O4.2C28H29F3INO6.C28H30F3NO6.C28H28F3NO5.2C27H27F3N2O6/c1-16-12-17(4-8-21(16)29)22-14-19(33-2)15-26(34-22)27(36,28(30,31)32)11-10-23(35)18-5-9-24(25(13-18)37-3)38-20-6-7-20;2*1-16-5-6-19(13-20(16)32)26-23(37-3)9-10-25(33-26)27(36,28(29,30)31)12-11-21(35)18-7-8-22(24(14-18)38-4)39-15-17(2)34;1-16-13-19(5-7-20(16)29)26-23(36-3)9-10-25(32-26)28(35,27(30)31)12-11-21(34)18-6-8-22(24(14-18)37-4)38-15-17(2)33;1-16-14-18(4-8-20(16)29)26-23(35-2)10-11-25(32-26)28(34,27(30)31)13-12-21(33)17-5-9-22(24(15-17)36-3)37-19-6-7-19;2*1-15-12-17(4-6-18(15)28)25-21(36-2)8-9-23(32-25)27(35,26(29)30)11-10-19(33)16-5-7-20(22(13-16)37-3)38-14-24(31)34/h4-5,8-9,12-15,20,36H,6-7,10-11H2,1-3H3,(H,33,34);2*5-10,13-14,17,34,36H,11-12,15H2,1-4H3;5-10,13-14,17,27,33,35H,11-12,15H2,1-4H3;4-5,8-11,14-15,19,27,34H,6-7,12-13H2,1-3H3;2*4-9,12-13,26,35H,10-11,14H2,1-3H3,(H2,31,34)/t;2*17?,27-;;;2*27-/m.10..10/s1
InChIKeySTAWOYODSRCBSI-XKRNABCESA-N
XLogP37.25
TPSA694.83 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds79
Heavy Atoms267
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003965.51
LogP ≤ 537.25
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

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

Analyze 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one?
The IUPAC name of 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one (CID 160929269) is 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one.
What is the SMILES notation for 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one?
The canonical SMILES for 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one is CNc1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OC3CC3)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(C)c(I)c3)n2)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(C)c(I)c3)n2)C(F)(F)F)ccc1OCC(C)O.COc1cc(C(=O)CC[C@](O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCC(N)=O.
What is the InChIKey of 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one?
The InChIKey is STAWOYODSRCBSI-XKRNABCESA-N. The full InChI is InChI=1S/C28H28F4N2O4.2C28H29F3INO6.C28H30F3NO6.C28H28F3NO5.2C27H27F3N2O6/c1-16-12-17(4-8-21(16)29)22-14-19(33-2)15-26(34-22)27(36,28(30,31)32)11-10-23(35)18-5-9-24(25(13-18)37-3)38-20-6-7-20;2*1-16-5-6-19(13-20(16)32)26-23(37-3)9-10-25(33-26)27(36,28(29,30)31)12-11-21(35)18-7-8-22(24(14-18)38-4)39-15-17(2)34;1-16-13-19(5-7-20(16)29)26-23(36-3)9-10-25(32-26)28(35,27(30)31)12-11-21(34)18-6-8-22(24(14-18)37-4)38-15-17(2)33;1-16-14-18(4-8-20(16)29)26-23(35-2)10-11-25(32-26)28(34,27(30)31)13-12-21(33)17-5-9-22(24(15-17)36-3)37-19-6-7-19;2*1-15-12-17(4-6-18(15)28)25-21(36-2)8-9-23(32-25)27(35,26(29)30)11-10-19(33)16-5-7-20(22(13-16)37-3)38-14-24(31)34/h4-5,8-9,12-15,20,36H,6-7,10-11H2,1-3H3,(H,33,34);2*5-10,13-14,17,34,36H,11-12,15H2,1-4H3;5-10,13-14,17,27,33,35H,11-12,15H2,1-4H3;4-5,8-11,14-15,19,27,34H,6-7,12-13H2,1-3H3;2*4-9,12-13,26,35H,10-11,14H2,1-3H3,(H2,31,34)/t;2*17?,27-;;;2*27-/m.10..10/s1.
What are the key properties of 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one?
1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one has a molecular weight of 3965.51 g/mol, XLogP of 37.25, 79 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-(methylamino)-2-pyridinyl]-4-hydroxypentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;2-[4-[(4S)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one;(4R)-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]-4-[6-(3-iodo-4-methylphenyl)-5-methoxy-2-pyridinyl]pentan-1-one is sourced from PubChem (CID 160929269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).