2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one

C178H194F15N13O31 — CID 158713811

IUPAC2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one
SMILESCCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(C)cc1.CCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OCCO)c(OC)c1)nc2-c1ccc(C)cc1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CO)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)C(N)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)CO)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)CO)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C31H36N2O5.C30H32F4N2O5.C30H36N2O6.C29H29F4N3O5.C29H30F4N2O5.C29H31F3N2O5/c1-5-31(32)18-37-29-23(31)17-27(33-28(29)20-8-6-19(2)7-9-20)30(3,35)15-14-24(34)21-10-13-25(26(16-21)36-4)38-22-11-12-22;1-17-12-18(4-8-22(17)31)23-14-20(28(2,35)16-37)15-27(36-23)29(39,30(32,33)34)11-10-24(38)19-5-9-25(26(13-19)40-3)41-21-6-7-21;1-5-30(31)18-38-28-22(30)17-26(32-27(28)20-8-6-19(2)7-9-20)29(3,35)13-12-23(34)21-10-11-24(37-15-14-33)25(16-21)36-4;1-15-11-16(3-7-20(15)30)21-12-18(26(34)27(35)38)14-25(36-21)28(39,29(31,32)33)10-9-22(37)17-4-8-23(24(13-17)40-2)41-19-5-6-19;1-16-11-17(3-7-21(16)30)23-12-19(22(34)15-36)14-27(35-23)28(38,29(31,32)33)10-9-24(37)18-4-8-25(26(13-18)39-2)40-20-5-6-20;1-17-3-5-18(6-4-17)23-13-20(22(33)16-35)15-27(34-23)28(37,29(30,31)32)12-11-24(36)19-7-10-25(26(14-19)38-2)39-21-8-9-21/h6-10,13,16-17,22,35H,5,11-12,14-15,18,32H2,1-4H3;4-5,8-9,12-15,21,37,39H,6-7,10-11,16,35H2,1-3H3;6-11,16-17,33,35H,5,12-15,18,31H2,1-4H3;3-4,7-8,11-14,19,26,39H,5-6,9-10,34H2,1-2H3,(H2,35,38);3-4,7-8,11-14,20,22,36,38H,5-6,9-10,15,34H2,1-2H3;3-7,10,13-15,21-22,35,37H,8-9,11-12,16,33H2,1-2H3
InChIKeyIJBCSOFOBWVAMG-UHFFFAOYSA-N
MW3296.54 g/mol
LogP29.83
Rot. Bonds65

About 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one

2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one (PubChem CID 158713811) has the molecular formula C178H194F15N13O31 and a molecular weight of 3296.54 g/mol. Its IUPAC name is 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one.

Molecular Properties

Compound Name2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one
PubChem CID158713811
Molecular FormulaC178H194F15N13O31
Molecular Weight3296.54 g/mol
Exact Mass3294.38
IUPAC Name2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one
SMILESCCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(C)cc1.CCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OCCO)c(OC)c1)nc2-c1ccc(C)cc1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CO)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)C(N)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)CO)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)CO)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C31H36N2O5.C30H32F4N2O5.C30H36N2O6.C29H29F4N3O5.C29H30F4N2O5.C29H31F3N2O5/c1-5-31(32)18-37-29-23(31)17-27(33-28(29)20-8-6-19(2)7-9-20)30(3,35)15-14-24(34)21-10-13-25(26(16-21)36-4)38-22-11-12-22;1-17-12-18(4-8-22(17)31)23-14-20(28(2,35)16-37)15-27(36-23)29(39,30(32,33)34)11-10-24(38)19-5-9-25(26(13-19)40-3)41-21-6-7-21;1-5-30(31)18-38-28-22(30)17-26(32-27(28)20-8-6-19(2)7-9-20)29(3,35)13-12-23(34)21-10-11-24(37-15-14-33)25(16-21)36-4;1-15-11-16(3-7-20(15)30)21-12-18(26(34)27(35)38)14-25(36-21)28(39,29(31,32)33)10-9-22(37)17-4-8-23(24(13-17)40-2)41-19-5-6-19;1-16-11-17(3-7-21(16)30)23-12-19(22(34)15-36)14-27(35-23)28(38,29(31,32)33)10-9-24(37)18-4-8-25(26(13-18)39-2)40-20-5-6-20;1-17-3-5-18(6-4-17)23-13-20(22(33)16-35)15-27(34-23)28(37,29(30,31)32)12-11-24(36)19-7-10-25(26(14-19)38-2)39-21-8-9-21/h6-10,13,16-17,22,35H,5,11-12,14-15,18,32H2,1-4H3;4-5,8-9,12-15,21,37,39H,6-7,10-11,16,35H2,1-3H3;6-11,16-17,33,35H,5,12-15,18,31H2,1-4H3;3-4,7-8,11-14,19,26,39H,5-6,9-10,34H2,1-2H3,(H2,35,38);3-4,7-8,11-14,20,22,36,38H,5-6,9-10,15,34H2,1-2H3;3-7,10,13-15,21-22,35,37H,8-9,11-12,16,33H2,1-2H3
InChIKeyIJBCSOFOBWVAMG-UHFFFAOYSA-N
XLogP29.83
TPSA710.49 Ų
H-Bond Donors17
H-Bond Acceptors43
Rotatable Bonds65
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003296.54
LogP ≤ 529.83
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1043

Analyze 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one?
The IUPAC name of 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one (CID 158713811) is 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one.
What is the SMILES notation for 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one?
The canonical SMILES for 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one is CCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OC3CC3)c(OC)c1)nc2-c1ccc(C)cc1.CCC1(N)COc2c1cc(C(C)(O)CCC(=O)c1ccc(OCCO)c(OC)c1)nc2-c1ccc(C)cc1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(N)CO)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)C(N)=O)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)CO)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(N)CO)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one?
The InChIKey is IJBCSOFOBWVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O5.C30H32F4N2O5.C30H36N2O6.C29H29F4N3O5.C29H30F4N2O5.C29H31F3N2O5/c1-5-31(32)18-37-29-23(31)17-27(33-28(29)20-8-6-19(2)7-9-20)30(3,35)15-14-24(34)21-10-13-25(26(16-21)36-4)38-22-11-12-22;1-17-12-18(4-8-22(17)31)23-14-20(28(2,35)16-37)15-27(36-23)29(39,30(32,33)34)11-10-24(38)19-5-9-25(26(13-19)40-3)41-21-6-7-21;1-5-30(31)18-38-28-22(30)17-26(32-27(28)20-8-6-19(2)7-9-20)29(3,35)13-12-23(34)21-10-11-24(37-15-14-33)25(16-21)36-4;1-15-11-16(3-7-20(15)30)21-12-18(26(34)27(35)38)14-25(36-21)28(39,29(31,32)33)10-9-22(37)17-4-8-23(24(13-17)40-2)41-19-5-6-19;1-16-11-17(3-7-21(16)30)23-12-19(22(34)15-36)14-27(35-23)28(38,29(31,32)33)10-9-24(37)18-4-8-25(26(13-18)39-2)40-20-5-6-20;1-17-3-5-18(6-4-17)23-13-20(22(33)16-35)15-27(34-23)28(37,29(30,31)32)12-11-24(36)19-7-10-25(26(14-19)38-2)39-21-8-9-21/h6-10,13,16-17,22,35H,5,11-12,14-15,18,32H2,1-4H3;4-5,8-9,12-15,21,37,39H,6-7,10-11,16,35H2,1-3H3;6-11,16-17,33,35H,5,12-15,18,31H2,1-4H3;3-4,7-8,11-14,19,26,39H,5-6,9-10,34H2,1-2H3,(H2,35,38);3-4,7-8,11-14,20,22,36,38H,5-6,9-10,15,34H2,1-2H3;3-7,10,13-15,21-22,35,37H,8-9,11-12,16,33H2,1-2H3.
What are the key properties of 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one?
2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one has a molecular weight of 3296.54 g/mol, XLogP of 29.83, 65 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]acetamide;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[3-amino-3-ethyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(1-amino-2-hydroxyethyl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[4-(2-amino-1-hydroxypropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one is sourced from PubChem (CID 158713811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).