4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one

C196H212F10N8O35 — CID 158252785

IUPAC4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(C)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)(C)C.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(F)F.COc1cc(C(=O)CCC(F)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.[C-]#[N+]COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC
InChIInChI=1S/C29H31F2NO5.C29H34FNO5.2C28H30FNO5.C28H32FNO5.C27H28F3NO5.C27H27FN2O5/c1-18-16-20(4-8-22(18)30)28-25(35-2)10-11-27(32-28)29(31,21-6-7-21)13-12-23(34)19-5-9-24(37-15-14-33)26(17-19)36-3;1-18-16-20(8-10-21(18)30)27-24(34-6)12-13-26(31-27)29(5,33)15-14-22(32)19-9-11-23(25(17-19)35-7)36-28(2,3)4;2*1-17-15-19(5-9-21(17)29)27-24(33-3)11-12-26(30-27)28(2,32)14-13-22(31)18-6-10-23(25(16-18)34-4)35-20-7-8-20;1-18-16-20(6-8-21(18)29)27-24(33-4)10-11-26(30-27)28(2,3)13-12-22(32)19-7-9-23(35-15-14-31)25(17-19)34-5;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(31-26)27(2,33)12-11-20(32)17-6-8-21(23(14-17)35-4)36-15-25(29)30;1-17-14-19(6-8-20(17)28)26-23(33-4)10-11-25(30-26)27(2,32)13-12-21(31)18-7-9-22(35-16-29-3)24(15-18)34-5/h4-5,8-11,16-17,21,33H,6-7,12-15H2,1-3H3;8-13,16-17,33H,14-15H2,1-7H3;2*5-6,9-12,15-16,20,32H,7-8,13-14H2,1-4H3;6-11,16-17,31H,12-15H2,1-5H3;5-10,13-14,25,33H,11-12,15H2,1-4H3;6-11,14-15,32H,12-13,16H2,1-2,4-5H3
InChIKeyGGXOBPCLJKCPFD-UHFFFAOYSA-N
MW3429.85 g/mol
LogP39.93
Rot. Bonds73

About 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one

4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one (PubChem CID 158252785) has the molecular formula C196H212F10N8O35 and a molecular weight of 3429.85 g/mol. Its IUPAC name is 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one.

Molecular Properties

Compound Name4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one
PubChem CID158252785
Molecular FormulaC196H212F10N8O35
Molecular Weight3429.85 g/mol
Exact Mass3427.49
IUPAC Name4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(C)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)(C)C.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(F)F.COc1cc(C(=O)CCC(F)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.[C-]#[N+]COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC
InChIInChI=1S/C29H31F2NO5.C29H34FNO5.2C28H30FNO5.C28H32FNO5.C27H28F3NO5.C27H27FN2O5/c1-18-16-20(4-8-22(18)30)28-25(35-2)10-11-27(32-28)29(31,21-6-7-21)13-12-23(34)19-5-9-24(37-15-14-33)26(17-19)36-3;1-18-16-20(8-10-21(18)30)27-24(34-6)12-13-26(31-27)29(5,33)15-14-22(32)19-9-11-23(25(17-19)35-7)36-28(2,3)4;2*1-17-15-19(5-9-21(17)29)27-24(33-3)11-12-26(30-27)28(2,32)14-13-22(31)18-6-10-23(25(16-18)34-4)35-20-7-8-20;1-18-16-20(6-8-21(18)29)27-24(33-4)10-11-26(30-27)28(2,3)13-12-22(32)19-7-9-23(35-15-14-31)25(17-19)34-5;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(31-26)27(2,33)12-11-20(32)17-6-8-21(23(14-17)35-4)36-15-25(29)30;1-17-14-19(6-8-20(17)28)26-23(33-4)10-11-25(30-26)27(2,32)13-12-21(31)18-7-9-22(35-16-29-3)24(15-18)34-5/h4-5,8-11,16-17,21,33H,6-7,12-15H2,1-3H3;8-13,16-17,33H,14-15H2,1-7H3;2*5-6,9-12,15-16,20,32H,7-8,13-14H2,1-4H3;6-11,16-17,31H,12-15H2,1-5H3;5-10,13-14,25,33H,11-12,15H2,1-4H3;6-11,14-15,32H,12-13,16H2,1-2,4-5H3
InChIKeyGGXOBPCLJKCPFD-UHFFFAOYSA-N
XLogP39.93
TPSA549.52 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds73
Heavy Atoms249
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003429.85
LogP ≤ 539.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one?
The IUPAC name of 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one (CID 158252785) is 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one.
What is the SMILES notation for 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one?
The canonical SMILES for 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one is COc1cc(C(=O)CCC(C)(C)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC(C)(C)C.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OC1CC1.COc1cc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCC(F)F.COc1cc(C(=O)CCC(F)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OCCO.[C-]#[N+]COc1ccc(C(=O)CCC(C)(O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.
What is the InChIKey of 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one?
The InChIKey is GGXOBPCLJKCPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2NO5.C29H34FNO5.2C28H30FNO5.C28H32FNO5.C27H28F3NO5.C27H27FN2O5/c1-18-16-20(4-8-22(18)30)28-25(35-2)10-11-27(32-28)29(31,21-6-7-21)13-12-23(34)19-5-9-24(37-15-14-33)26(17-19)36-3;1-18-16-20(8-10-21(18)30)27-24(34-6)12-13-26(31-27)29(5,33)15-14-22(32)19-9-11-23(25(17-19)35-7)36-28(2,3)4;2*1-17-15-19(5-9-21(17)29)27-24(33-3)11-12-26(30-27)28(2,32)14-13-22(31)18-6-10-23(25(16-18)34-4)35-20-7-8-20;1-18-16-20(6-8-21(18)29)27-24(33-4)10-11-26(30-27)28(2,3)13-12-22(32)19-7-9-23(35-15-14-31)25(17-19)34-5;1-16-13-18(5-7-19(16)28)26-22(34-3)9-10-24(31-26)27(2,33)12-11-20(32)17-6-8-21(23(14-17)35-4)36-15-25(29)30;1-17-14-19(6-8-20(17)28)26-23(33-4)10-11-25(30-26)27(2,32)13-12-21(31)18-7-9-22(35-16-29-3)24(15-18)34-5/h4-5,8-11,16-17,21,33H,6-7,12-15H2,1-3H3;8-13,16-17,33H,14-15H2,1-7H3;2*5-6,9-12,15-16,20,32H,7-8,13-14H2,1-4H3;6-11,16-17,31H,12-15H2,1-5H3;5-10,13-14,25,33H,11-12,15H2,1-4H3;6-11,14-15,32H,12-13,16H2,1-2,4-5H3.
What are the key properties of 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one?
4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one has a molecular weight of 3429.85 g/mol, XLogP of 39.93, 73 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-fluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;bis(1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one);1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxypentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-methylpentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(isocyanomethoxy)-3-methoxyphenyl]pentan-1-one;4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]pentan-1-one is sourced from PubChem (CID 158252785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).