2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)

C175H195F17N14O32 — CID 159584347

IUPAC2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)
SMILESCOc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)CO)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)c1
InChIInChI=1S/C30H34N2O6.2C29H31F4N3O5.C29H33F3N2O6.2C29H33F3N2O5/c1-18-4-6-19(7-5-18)27-28-22(30(31,16-33)17-37-28)15-26(32-27)29(2,35)13-12-23(34)20-8-11-24(25(14-20)36-3)38-21-9-10-21;2*1-17-4-6-18(7-5-17)21-13-20(27(2,35)16-30)14-25(36-21)28(39,29(31,32)33)11-10-22(37)19-8-9-23(24(12-19)40-3)41-15-26(34)38;1-27(2,33)20-16-22(18-6-5-7-21(14-18)38-3)34-26(17-20)28(37,29(30,31)32)11-10-23(36)19-8-9-24(40-13-12-35)25(15-19)39-4;2*1-18-5-7-19(8-6-18)22-16-21(27(2,3)33)17-26(34-22)28(37,29(30,31)32)12-11-23(36)20-9-10-24(39-14-13-35)25(15-20)38-4/h4-8,11,14-15,21,33,35H,9-10,12-13,16-17,31H2,1-3H3;2*4-9,12-14,39H,10-11,15-16,35H2,1-3H3,(H2,34,38);5-9,14-17,35,37H,10-13,33H2,1-4H3;2*5-10,15-17,35,37H,11-14,33H2,1-4H3/t29-,30?;2*27?,28-;;;/m010.../s1
InChIKeyMJKQBGFJVONPNH-XTVUDZDMSA-N
MW3329.52 g/mol
LogP27.82
Rot. Bonds68

About 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)

2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one) (PubChem CID 159584347) has the molecular formula C175H195F17N14O32 and a molecular weight of 3329.52 g/mol. Its IUPAC name is 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one).

Molecular Properties

Compound Name2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)
PubChem CID159584347
Molecular FormulaC175H195F17N14O32
Molecular Weight3329.52 g/mol
Exact Mass3327.38
IUPAC Name2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)
SMILESCOc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)CO)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)c1
InChIInChI=1S/C30H34N2O6.2C29H31F4N3O5.C29H33F3N2O6.2C29H33F3N2O5/c1-18-4-6-19(7-5-18)27-28-22(30(31,16-33)17-37-28)15-26(32-27)29(2,35)13-12-23(34)20-8-11-24(25(14-20)36-3)38-21-9-10-21;2*1-17-4-6-18(7-5-17)21-13-20(27(2,35)16-30)14-25(36-21)28(39,29(31,32)33)11-10-22(37)19-8-9-23(24(12-19)40-3)41-15-26(34)38;1-27(2,33)20-16-22(18-6-5-7-21(14-18)38-3)34-26(17-20)28(37,29(30,31)32)11-10-23(36)19-8-9-24(40-13-12-35)25(15-19)39-4;2*1-18-5-7-19(8-6-18)22-16-21(27(2,3)33)17-26(34-22)28(37,29(30,31)32)12-11-23(36)20-9-10-24(39-14-13-35)25(15-20)38-4/h4-8,11,14-15,21,33,35H,9-10,12-13,16-17,31H2,1-3H3;2*4-9,12-14,39H,10-11,15-16,35H2,1-3H3,(H2,34,38);5-9,14-17,35,37H,10-13,33H2,1-4H3;2*5-10,15-17,35,37H,11-14,33H2,1-4H3/t29-,30?;2*27?,28-;;;/m010.../s1
InChIKeyMJKQBGFJVONPNH-XTVUDZDMSA-N
XLogP27.82
TPSA753.58 Ų
H-Bond Donors18
H-Bond Acceptors44
Rotatable Bonds68
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003329.52
LogP ≤ 527.82
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1044

Analyze 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)?
The IUPAC name of 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one) (CID 159584347) is 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one).
What is the SMILES notation for 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)?
The canonical SMILES for 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one) is COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CC[C@@](O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CC[C@](C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)CO)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc(C(C)(N)CF)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc(OCCO)c(OC)c3)C(F)(F)F)n2)c1.
What is the InChIKey of 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)?
The InChIKey is MJKQBGFJVONPNH-XTVUDZDMSA-N. The full InChI is InChI=1S/C30H34N2O6.2C29H31F4N3O5.C29H33F3N2O6.2C29H33F3N2O5/c1-18-4-6-19(7-5-18)27-28-22(30(31,16-33)17-37-28)15-26(32-27)29(2,35)13-12-23(34)20-8-11-24(25(14-20)36-3)38-21-9-10-21;2*1-17-4-6-18(7-5-17)21-13-20(27(2,35)16-30)14-25(36-21)28(39,29(31,32)33)11-10-22(37)19-8-9-23(24(12-19)40-3)41-15-26(34)38;1-27(2,33)20-16-22(18-6-5-7-21(14-18)38-3)34-26(17-20)28(37,29(30,31)32)11-10-23(36)19-8-9-24(40-13-12-35)25(15-19)39-4;2*1-18-5-7-19(8-6-18)22-16-21(27(2,3)33)17-26(34-22)28(37,29(30,31)32)12-11-23(36)20-9-10-24(39-14-13-35)25(15-20)38-4/h4-8,11,14-15,21,33,35H,9-10,12-13,16-17,31H2,1-3H3;2*4-9,12-14,39H,10-11,15-16,35H2,1-3H3,(H2,34,38);5-9,14-17,35,37H,10-13,33H2,1-4H3;2*5-10,15-17,35,37H,11-14,33H2,1-4H3/t29-,30?;2*27?,28-;;;/m010.../s1.
What are the key properties of 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one)?
2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one) has a molecular weight of 3329.52 g/mol, XLogP of 27.82, 68 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4S)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;2-[4-[(4R)-4-[4-(2-amino-1-fluoropropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]acetamide;(4S)-4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-hydroxypentan-1-one;4-[4-(2-aminopropan-2-yl)-6-(3-methoxyphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;bis(4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one) is sourced from PubChem (CID 159584347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).