4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one

C180H203F10N13O27 — CID 159325640

IUPAC4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)cc1OC.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)ccc1OC[C@@H](C)OC(=O)OC(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)C(C)C)ccc1OC[C@@H](C)O.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)CC(=O)C4)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)NC(=O)C4)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)OC(=O)C4)C(F)(F)F)n2)cc1
InChIInChI=1S/C34H43FN2O7.C32H40N2O6.C29H29F3N2O3.C29H36N2O4.C28H28F3N3O3.C28H27F3N2O4/c1-20(2)43-32(39)44-22(4)19-42-29-12-10-24(16-30(29)41-8)28(38)13-14-34(7,40)31-18-25(33(5,6)36)17-27(37-31)23-9-11-26(35)21(3)15-23;1-19(2)32(33)18-40-30-24(32)16-28(34-29(30)22-9-7-20(3)8-10-22)31(5,37)14-13-25(36)23-11-12-26(27(15-23)38-6)39-17-21(4)35;1-17-4-6-18(7-5-17)24-15-22(27(2,3)33)16-26(34-24)28(37,29(30,31)32)11-10-25(36)20-9-8-19-13-23(35)14-21(19)12-20;1-7-35-25-13-12-21(16-26(25)34-6)24(32)14-15-29(5,33)27-18-22(28(3,4)30)17-23(31-27)20-10-8-19(2)9-11-20;1-16-4-6-17(7-5-16)22-14-20(26(2,3)32)15-24(33-22)27(37,28(29,30)31)11-10-23(35)19-9-8-18-13-25(36)34-21(18)12-19;1-16-4-6-17(7-5-16)21-14-20(26(2,3)32)15-24(33-21)27(36,28(29,30)31)11-10-22(34)18-8-9-19-13-25(35)37-23(19)12-18/h9-12,15-18,20,22,40H,13-14,19,36H2,1-8H3;7-12,15-16,19,21,35,37H,13-14,17-18,33H2,1-6H3;4-9,12,15-16,37H,10-11,13-14,33H2,1-3H3;8-13,16-18,33H,7,14-15,30H2,1-6H3;4-9,12,14-15,37H,10-11,13,32H2,1-3H3,(H,34,36);4-9,12,14-15,36H,10-11,13,32H2,1-3H3/t22-,34?;21-,31?,32?;;;;/m11..../s1
InChIKeyLEIFDYASZBGFRS-JRTDDKHRSA-N
MW3170.65 g/mol
LogP32.64
Rot. Bonds55

About 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one

4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one (PubChem CID 159325640) has the molecular formula C180H203F10N13O27 and a molecular weight of 3170.65 g/mol. Its IUPAC name is 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one
PubChem CID159325640
Molecular FormulaC180H203F10N13O27
Molecular Weight3170.65 g/mol
Exact Mass3168.48
IUPAC Name4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one
SMILESCCOc1ccc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)cc1OC.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)ccc1OC[C@@H](C)OC(=O)OC(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)C(C)C)ccc1OC[C@@H](C)O.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)CC(=O)C4)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)NC(=O)C4)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)OC(=O)C4)C(F)(F)F)n2)cc1
InChIInChI=1S/C34H43FN2O7.C32H40N2O6.C29H29F3N2O3.C29H36N2O4.C28H28F3N3O3.C28H27F3N2O4/c1-20(2)43-32(39)44-22(4)19-42-29-12-10-24(16-30(29)41-8)28(38)13-14-34(7,40)31-18-25(33(5,6)36)17-27(37-31)23-9-11-26(35)21(3)15-23;1-19(2)32(33)18-40-30-24(32)16-28(34-29(30)22-9-7-20(3)8-10-22)31(5,37)14-13-25(36)23-11-12-26(27(15-23)38-6)39-17-21(4)35;1-17-4-6-18(7-5-17)24-15-22(27(2,3)33)16-26(34-24)28(37,29(30,31)32)11-10-25(36)20-9-8-19-13-23(35)14-21(19)12-20;1-7-35-25-13-12-21(16-26(25)34-6)24(32)14-15-29(5,33)27-18-22(28(3,4)30)17-23(31-27)20-10-8-19(2)9-11-20;1-16-4-6-17(7-5-16)22-14-20(26(2,3)32)15-24(33-22)27(37,28(29,30)31)11-10-23(35)19-9-8-18-13-25(36)34-21(18)12-19;1-16-4-6-17(7-5-16)21-14-20(26(2,3)32)15-24(33-21)27(36,28(29,30)31)11-10-22(34)18-8-9-19-13-25(35)37-23(19)12-18/h9-12,15-18,20,22,40H,13-14,19,36H2,1-8H3;7-12,15-16,19,21,35,37H,13-14,17-18,33H2,1-6H3;4-9,12,15-16,37H,10-11,13-14,33H2,1-3H3;8-13,16-18,33H,7,14-15,30H2,1-6H3;4-9,12,14-15,37H,10-11,13,32H2,1-3H3,(H,34,36);4-9,12,14-15,36H,10-11,13,32H2,1-3H3/t22-,34?;21-,31?,32?;;;;/m11..../s1
InChIKeyLEIFDYASZBGFRS-JRTDDKHRSA-N
XLogP32.64
TPSA650.10 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds55
Heavy Atoms230
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003170.65
LogP ≤ 532.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one (CID 159325640) is 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one is CCOc1ccc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)cc1OC.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)ccc1OC[C@@H](C)OC(=O)OC(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)C(C)C)ccc1OC[C@@H](C)O.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)CC(=O)C4)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)NC(=O)C4)C(F)(F)F)n2)cc1.Cc1ccc(-c2cc(C(C)(C)N)cc(C(O)(CCC(=O)c3ccc4c(c3)OC(=O)C4)C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one?
The InChIKey is LEIFDYASZBGFRS-JRTDDKHRSA-N. The full InChI is InChI=1S/C34H43FN2O7.C32H40N2O6.C29H29F3N2O3.C29H36N2O4.C28H28F3N3O3.C28H27F3N2O4/c1-20(2)43-32(39)44-22(4)19-42-29-12-10-24(16-30(29)41-8)28(38)13-14-34(7,40)31-18-25(33(5,6)36)17-27(37-31)23-9-11-26(35)21(3)15-23;1-19(2)32(33)18-40-30-24(32)16-28(34-29(30)22-9-7-20(3)8-10-22)31(5,37)14-13-25(36)23-11-12-26(27(15-23)38-6)39-17-21(4)35;1-17-4-6-18(7-5-17)24-15-22(27(2,3)33)16-26(34-24)28(37,29(30,31)32)11-10-25(36)20-9-8-19-13-23(35)14-21(19)12-20;1-7-35-25-13-12-21(16-26(25)34-6)24(32)14-15-29(5,33)27-18-22(28(3,4)30)17-23(31-27)20-10-8-19(2)9-11-20;1-16-4-6-17(7-5-16)22-14-20(26(2,3)32)15-24(33-22)27(37,28(29,30)31)11-10-23(35)19-9-8-18-13-25(36)34-21(18)12-19;1-16-4-6-17(7-5-16)21-14-20(26(2,3)32)15-24(33-21)27(36,28(29,30)31)11-10-22(34)18-8-9-19-13-25(35)37-23(19)12-18/h9-12,15-18,20,22,40H,13-14,19,36H2,1-8H3;7-12,15-16,19,21,35,37H,13-14,17-18,33H2,1-6H3;4-9,12,15-16,37H,10-11,13-14,33H2,1-3H3;8-13,16-18,33H,7,14-15,30H2,1-6H3;4-9,12,14-15,37H,10-11,13,32H2,1-3H3,(H,34,36);4-9,12,14-15,36H,10-11,13,32H2,1-3H3/t22-,34?;21-,31?,32?;;;;/m11..../s1.
What are the key properties of 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one?
4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one has a molecular weight of 3170.65 g/mol, XLogP of 32.64, 55 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-7-(4-methylphenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;[(2R)-1-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl] propan-2-yl carbonate;4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-ethoxy-3-methoxyphenyl)-4-hydroxypentan-1-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-3H-1-benzofuran-2-one;5-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroinden-2-one;6-[4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 159325640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).