About 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 167597207) has the molecular formula C170H177F14N9O30
and a molecular weight of 3092.29 g/mol. Its IUPAC name is 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
Frequently Asked Questions
What is the IUPAC name of 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 167597207) is 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is COc1cc(C(=O)CCC(F)(CF)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1CCO.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1Cn1cncn1.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OC(C)(F)F.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)C2CC2)ccc1OC(F)F.
What is the InChIKey of 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is JFURTCQIIPTMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O4.C29H30F3NO5.C29H32FNO5.C28H28F3NO5.C27H28F3NO6.C27H28F3NO5/c1-19-14-21(6-9-24(19)31)29-26(38-2)10-11-28(34-29)30(37,23-7-8-23)13-12-25(36)20-4-5-22(27(15-20)39-3)16-35-18-32-17-33-35;1-17-15-19(5-9-21(17)30)27-24(36-3)11-12-26(33-27)29(35,20-7-8-20)14-13-22(34)18-6-10-23(25(16-18)37-4)38-28(2,31)32;1-18-16-21(6-9-23(18)30)28-25(35-2)10-11-27(31-28)29(34,22-7-8-22)14-12-24(33)20-5-4-19(13-15-32)26(17-20)36-3;1-16-14-18(4-8-20(16)29)26-23(35-2)10-11-25(32-26)28(34,19-6-7-19)13-12-21(33)17-5-9-22(37-27(30)31)24(15-17)36-3;1-16-14-18(4-6-19(16)28)25-22(35-2)8-9-24(31-25)27(34,26(29)30)11-10-20(33)17-5-7-21(37-13-12-32)23(15-17)36-3;1-17-14-19(4-6-20(17)29)26-23(34-2)8-9-25(31-26)27(30,16-28)11-10-21(33)18-5-7-22(36-13-12-32)24(15-18)35-3/h4-6,9-11,14-15,17-18,23,37H,7-8,12-13,16H2,1-3H3;5-6,9-12,15-16,20,35H,7-8,13-14H2,1-4H3;4-6,9-11,16-17,22,32,34H,7-8,12-15H2,1-3H3;4-5,8-11,14-15,19,27,34H,6-7,12-13H2,1-3H3;4-9,14-15,26,32,34H,10-13H2,1-3H3;4-9,14-15,32H,10-13,16H2,1-3H3.
What are the key properties of 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 3092.29 g/mol, XLogP of 32.75, 68 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[4-(1,1-difluoroethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethyl)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-(1,2,4-triazol-1-ylmethyl)phenyl]butan-1-one;4,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;5,5-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 167597207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).