4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide

C180H194F19N13O25 — CID 159356275

IUPAC4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3N)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)/N=C(\C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(CCN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C32H35F4N3O4.C30H32F4N2O4.2C30H33F3N2O4.C29H30F4N2O4.C29H31FN2O5/c1-18-14-20(6-10-24(18)33)25-16-22(30(3,4)39-19(2)37)17-29(38-25)31(41,32(34,35)36)13-12-26(40)21-7-11-27(28(15-21)42-5)43-23-8-9-23;1-17-13-18(5-9-22(17)31)23-15-20(28(2,3)35)16-27(36-23)29(38,30(32,33)34)12-11-24(37)19-6-10-25(26(14-19)39-4)40-21-7-8-21;2*1-18-5-7-19(8-6-18)23-16-21(28(2,3)34)17-27(35-23)29(37,30(31,32)33)14-13-24(36)20-9-12-25(26(15-20)38-4)39-22-10-11-22;1-17-13-19(3-7-22(17)30)23-14-18(10-12-34)15-27(35-23)28(37,29(31,32)33)11-9-24(36)20-4-8-25(26(16-20)38-2)39-21-5-6-21;1-16-12-18(4-8-21(16)30)27-28-20(22(31)15-36-28)14-26(32-27)29(2,34)11-10-23(33)17-5-9-24(25(13-17)35-3)37-19-6-7-19/h6-7,10-11,14-17,23,41H,8-9,12-13H2,1-5H3,(H2,37,39);5-6,9-10,13-16,21,38H,7-8,11-12,35H2,1-4H3;2*5-9,12,15-17,22,37H,10-11,13-14,34H2,1-4H3;3-4,7-8,13-16,21,37H,5-6,9-12,34H2,1-2H3;4-5,8-9,12-14,19,22,34H,6-7,10-11,15,31H2,1-3H3
InChIKeyLHYORCFIYAXVDY-UHFFFAOYSA-N
MW3300.56 g/mol
LogP36.22
Rot. Bonds61

About 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide

4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide (PubChem CID 159356275) has the molecular formula C180H194F19N13O25 and a molecular weight of 3300.56 g/mol. Its IUPAC name is 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide.

Molecular Properties

Compound Name4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide
PubChem CID159356275
Molecular FormulaC180H194F19N13O25
Molecular Weight3300.56 g/mol
Exact Mass3298.40
IUPAC Name4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3N)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)/N=C(\C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(CCN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C32H35F4N3O4.C30H32F4N2O4.2C30H33F3N2O4.C29H30F4N2O4.C29H31FN2O5/c1-18-14-20(6-10-24(18)33)25-16-22(30(3,4)39-19(2)37)17-29(38-25)31(41,32(34,35)36)13-12-26(40)21-7-11-27(28(15-21)42-5)43-23-8-9-23;1-17-13-18(5-9-22(17)31)23-15-20(28(2,3)35)16-27(36-23)29(38,30(32,33)34)12-11-24(37)19-6-10-25(26(14-19)39-4)40-21-7-8-21;2*1-18-5-7-19(8-6-18)23-16-21(28(2,3)34)17-27(35-23)29(37,30(31,32)33)14-13-24(36)20-9-12-25(26(15-20)38-4)39-22-10-11-22;1-17-13-19(3-7-22(17)30)23-14-18(10-12-34)15-27(35-23)28(37,29(31,32)33)11-9-24(36)20-4-8-25(26(16-20)38-2)39-21-5-6-21;1-16-12-18(4-8-21(16)30)27-28-20(22(31)15-36-28)14-26(32-27)29(2,34)11-10-23(33)17-5-9-24(25(13-17)35-3)37-19-6-7-19/h6-7,10-11,14-17,23,41H,8-9,12-13H2,1-5H3,(H2,37,39);5-6,9-10,13-16,21,38H,7-8,11-12,35H2,1-4H3;2*5-9,12,15-17,22,37H,10-11,13-14,34H2,1-4H3;3-4,7-8,13-16,21,37H,5-6,9-12,34H2,1-2H3;4-5,8-9,12-14,19,22,34H,6-7,10-11,15,31H2,1-3H3
InChIKeyLHYORCFIYAXVDY-UHFFFAOYSA-N
XLogP36.22
TPSA589.61 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds61
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003300.56
LogP ≤ 536.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide?
The IUPAC name of 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide (CID 159356275) is 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide.
What is the SMILES notation for 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide?
The canonical SMILES for 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3N)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)/N=C(\C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(c2cc(CCN)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide?
The InChIKey is LHYORCFIYAXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F4N3O4.C30H32F4N2O4.2C30H33F3N2O4.C29H30F4N2O4.C29H31FN2O5/c1-18-14-20(6-10-24(18)33)25-16-22(30(3,4)39-19(2)37)17-29(38-25)31(41,32(34,35)36)13-12-26(40)21-7-11-27(28(15-21)42-5)43-23-8-9-23;1-17-13-18(5-9-22(17)31)23-15-20(28(2,3)35)16-27(36-23)29(38,30(32,33)34)12-11-24(37)19-6-10-25(26(14-19)39-4)40-21-7-8-21;2*1-18-5-7-19(8-6-18)23-16-21(28(2,3)34)17-27(35-23)29(37,30(31,32)33)14-13-24(36)20-9-12-25(26(15-20)38-4)39-22-10-11-22;1-17-13-19(3-7-22(17)30)23-14-18(10-12-34)15-27(35-23)28(37,29(31,32)33)11-9-24(36)20-4-8-25(26(16-20)38-2)39-21-5-6-21;1-16-12-18(4-8-21(16)30)27-28-20(22(31)15-36-28)14-26(32-27)29(2,34)11-10-23(33)17-5-9-24(25(13-17)35-3)37-19-6-7-19/h6-7,10-11,14-17,23,41H,8-9,12-13H2,1-5H3,(H2,37,39);5-6,9-10,13-16,21,38H,7-8,11-12,35H2,1-4H3;2*5-9,12,15-17,22,37H,10-11,13-14,34H2,1-4H3;3-4,7-8,13-16,21,37H,5-6,9-12,34H2,1-2H3;4-5,8-9,12-14,19,22,34H,6-7,10-11,15,31H2,1-3H3.
What are the key properties of 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide?
4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide has a molecular weight of 3300.56 g/mol, XLogP of 36.22, 61 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethyl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one);N'-[2-[2-[5-(4-cyclopropyloxy-3-methoxyphenyl)-1,1,1-trifluoro-2-hydroxy-5-oxopentan-2-yl]-6-(4-fluoro-3-methylphenyl)-4-pyridinyl]propan-2-yl]ethanimidamide is sourced from PubChem (CID 159356275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).