4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

C183H209F15N14O30 — CID 167687228

IUPAC4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OCCO)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)CN)cc(-c3ccc(F)c(C)c3)n2)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)nc4)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCCOC(=O)C(C)C.COc1cc(C(=O)CC[C@@](O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C33H38F4N2O6.C32H38FN3O5.C30H34F4N2O5.2C30H33F3N2O4.C28H33N3O6/c1-19(2)30(41)45-14-13-44-27-10-8-22(16-28(27)43-6)26(40)11-12-32(42,33(35,36)37)29-18-23(31(4,5)38)17-25(39-29)21-7-9-24(34)20(3)15-21;1-19-14-20(6-8-23(19)33)24-16-22(31(2,3)18-34)17-29(36-24)32(4,39)12-10-25(37)21-7-9-26(28(15-21)40-5)41-27-11-13-35-30(27)38;1-18-14-19(6-8-22(18)31)23-16-21(28(2,3)35-4)17-27(36-23)29(39,30(32,33)34)11-10-24(38)20-7-9-25(41-13-12-37)26(15-20)40-5;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;1-17-5-6-19(15-30-17)25-26-20(27(2,29)16-37-26)14-24(31-25)28(3,34)10-9-21(33)18-7-8-22(36-12-11-32)23(13-18)35-4/h7-10,15-19,42H,11-14,38H2,1-6H3;6-9,14-17,27,39H,10-13,18,34H2,1-5H3,(H,35,38);6-9,14-17,35,37,39H,10-13H2,1-5H3;2*5-9,12,15-17,22,37H,10-11,13-14,34H2,1-4H3;5-8,13-15,32,34H,9-12,16,29H2,1-4H3/t;27-,32?;;2*29-;/m.0.10./s1
InChIKeyWJUNOYAAKDDYQQ-YDUYJRHNSA-N
MW3369.72 g/mol
LogP32.11
Rot. Bonds66

About 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one

4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (PubChem CID 167687228) has the molecular formula C183H209F15N14O30 and a molecular weight of 3369.72 g/mol. Its IUPAC name is 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.

Molecular Properties

Compound Name4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
PubChem CID167687228
Molecular FormulaC183H209F15N14O30
Molecular Weight3369.72 g/mol
Exact Mass3367.50
IUPAC Name4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one
SMILESCNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OCCO)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)CN)cc(-c3ccc(F)c(C)c3)n2)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)nc4)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCCOC(=O)C(C)C.COc1cc(C(=O)CC[C@@](O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C33H38F4N2O6.C32H38FN3O5.C30H34F4N2O5.2C30H33F3N2O4.C28H33N3O6/c1-19(2)30(41)45-14-13-44-27-10-8-22(16-28(27)43-6)26(40)11-12-32(42,33(35,36)37)29-18-23(31(4,5)38)17-25(39-29)21-7-9-24(34)20(3)15-21;1-19-14-20(6-8-23(19)33)24-16-22(31(2,3)18-34)17-29(36-24)32(4,39)12-10-25(37)21-7-9-26(28(15-21)40-5)41-27-11-13-35-30(27)38;1-18-14-19(6-8-22(18)31)23-16-21(28(2,3)35-4)17-27(36-23)29(39,30(32,33)34)11-10-24(38)20-7-9-25(41-13-12-37)26(15-20)40-5;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;1-17-5-6-19(15-30-17)25-26-20(27(2,29)16-37-26)14-24(31-25)28(3,34)10-9-21(33)18-7-8-22(36-12-11-32)23(13-18)35-4/h7-10,15-19,42H,11-14,38H2,1-6H3;6-9,14-17,27,39H,10-13,18,34H2,1-5H3,(H,35,38);6-9,14-17,35,37,39H,10-13H2,1-5H3;2*5-9,12,15-17,22,37H,10-11,13-14,34H2,1-4H3;5-8,13-15,32,34H,9-12,16,29H2,1-4H3/t;27-,32?;;2*29-;/m.0.10./s1
InChIKeyWJUNOYAAKDDYQQ-YDUYJRHNSA-N
XLogP32.11
TPSA672.01 Ų
H-Bond Donors15
H-Bond Acceptors43
Rotatable Bonds66
Heavy Atoms242
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003369.72
LogP ≤ 532.11
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The IUPAC name of 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one (CID 167687228) is 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one.
What is the SMILES notation for 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The canonical SMILES for 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is CNC(C)(C)c1cc(-c2ccc(F)c(C)c2)nc(C(O)(CCC(=O)c2ccc(OCCO)c(OC)c2)C(F)(F)F)c1.COc1cc(C(=O)CCC(C)(O)c2cc(C(C)(C)CN)cc(-c3ccc(F)c(C)c3)n2)ccc1O[C@H]1CCNC1=O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)nc4)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)c(C)c3)n2)C(F)(F)F)ccc1OCCOC(=O)C(C)C.COc1cc(C(=O)CC[C@@](O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.COc1cc(C(=O)CC[C@](O)(c2cc(C(C)(C)N)cc(-c3ccc(C)cc3)n2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
The InChIKey is WJUNOYAAKDDYQQ-YDUYJRHNSA-N. The full InChI is InChI=1S/C33H38F4N2O6.C32H38FN3O5.C30H34F4N2O5.2C30H33F3N2O4.C28H33N3O6/c1-19(2)30(41)45-14-13-44-27-10-8-22(16-28(27)43-6)26(40)11-12-32(42,33(35,36)37)29-18-23(31(4,5)38)17-25(39-29)21-7-9-24(34)20(3)15-21;1-19-14-20(6-8-23(19)33)24-16-22(31(2,3)18-34)17-29(36-24)32(4,39)12-10-25(37)21-7-9-26(28(15-21)40-5)41-27-11-13-35-30(27)38;1-18-14-19(6-8-22(18)31)23-16-21(28(2,3)35-4)17-27(36-23)29(39,30(32,33)34)11-10-24(38)20-7-9-25(41-13-12-37)26(15-20)40-5;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;1-17-5-6-19(15-30-17)25-26-20(27(2,29)16-37-26)14-24(31-25)28(3,34)10-9-21(33)18-7-8-22(36-12-11-32)23(13-18)35-4/h7-10,15-19,42H,11-14,38H2,1-6H3;6-9,14-17,27,39H,10-13,18,34H2,1-5H3,(H,35,38);6-9,14-17,35,37,39H,10-13H2,1-5H3;2*5-9,12,15-17,22,37H,10-11,13-14,34H2,1-4H3;5-8,13-15,32,34H,9-12,16,29H2,1-4H3/t;27-,32?;;2*29-;/m.0.10./s1.
What are the key properties of 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one?
4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one has a molecular weight of 3369.72 g/mol, XLogP of 32.11, 66 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-3-methyl-7-(6-methyl-3-pyridinyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;(3S)-3-[4-[4-[4-(1-amino-2-methylpropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-4-hydroxypentanoyl]-2-methoxyphenoxy]pyrrolidin-2-one;2-[4-[4-[4-(2-aminopropan-2-yl)-6-(4-fluoro-3-methylphenyl)-2-pyridinyl]-5,5,5-trifluoro-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;(4S)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4R)-4-[4-(2-aminopropan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;5,5,5-trifluoro-4-[6-(4-fluoro-3-methylphenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one is sourced from PubChem (CID 167687228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).