4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one

C179H195F10N13O35 — CID 159535062

IUPAC4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)C(F)(F)F)cc2c1CC(=O)C=C2.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)N)C(F)(F)F)ccc1OCCO
InChIInChI=1S/C31H29F3N2O5.C31H35N3O6.C30H36N2O6.C29H30F4N2O6.C29H31F3N2O6.C29H34N2O6/c1-17-4-6-18(7-5-17)27-28-23(29(2,35)16-41-28)15-26(36-27)30(39,31(32,33)34)11-10-24(38)20-12-19-8-9-21(37)14-22(19)25(13-20)40-3;1-18-6-5-7-20-21(16-33-27(18)20)28-29-22(30(2,32)17-40-29)15-26(34-28)31(3,37)11-10-23(36)19-8-9-24(39-13-12-35)25(14-19)38-4;1-18-6-8-20(9-7-18)27-28-22(29(3,31)17-38-28)15-26(32-27)30(4,35)13-12-23(34)21-10-11-24(25(14-21)36-5)37-16-19(2)33;1-16-12-18(4-6-20(16)30)25-26-19(27(2,34)15-41-26)14-24(35-25)28(38,29(31,32)33)9-8-21(37)17-5-7-22(40-11-10-36)23(13-17)39-3;1-17-4-6-18(7-5-17)25-26-20(27(2,33)16-40-26)15-24(34-25)28(37,29(30,31)32)11-10-21(36)19-8-9-22(39-13-12-35)23(14-19)38-3;1-18-5-7-19(8-6-18)26-27-21(28(2,30)17-37-27)16-25(31-26)29(3,34)12-11-22(33)20-9-10-23(36-14-13-32)24(15-20)35-4/h4-9,12-13,15,39H,10-11,14,16,35H2,1-3H3;5-9,14-16,33,35,37H,10-13,17,32H2,1-4H3;6-11,14-15,19,33,35H,12-13,16-17,31H2,1-5H3;4-7,12-14,36,38H,8-11,15,34H2,1-3H3;4-9,14-15,35,37H,10-13,16,33H2,1-3H3;5-10,15-16,32,34H,11-14,17,30H2,1-4H3
InChIKeyMDMHDSMRNDMLRG-UHFFFAOYSA-N
MW3278.56 g/mol
LogP26.65
Rot. Bonds57

About 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one

4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one (PubChem CID 159535062) has the molecular formula C179H195F10N13O35 and a molecular weight of 3278.56 g/mol. Its IUPAC name is 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one
PubChem CID159535062
Molecular FormulaC179H195F10N13O35
Molecular Weight3278.56 g/mol
Exact Mass3276.37
IUPAC Name4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)C(F)(F)F)cc2c1CC(=O)C=C2.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)N)C(F)(F)F)ccc1OCCO
InChIInChI=1S/C31H29F3N2O5.C31H35N3O6.C30H36N2O6.C29H30F4N2O6.C29H31F3N2O6.C29H34N2O6/c1-17-4-6-18(7-5-17)27-28-23(29(2,35)16-41-28)15-26(36-27)30(39,31(32,33)34)11-10-24(38)20-12-19-8-9-21(37)14-22(19)25(13-20)40-3;1-18-6-5-7-20-21(16-33-27(18)20)28-29-22(30(2,32)17-40-29)15-26(34-28)31(3,37)11-10-23(36)19-8-9-24(39-13-12-35)25(14-19)38-4;1-18-6-8-20(9-7-18)27-28-22(29(3,31)17-38-28)15-26(32-27)30(4,35)13-12-23(34)21-10-11-24(25(14-21)36-5)37-16-19(2)33;1-16-12-18(4-6-20(16)30)25-26-19(27(2,34)15-41-26)14-24(35-25)28(38,29(31,32)33)9-8-21(37)17-5-7-22(40-11-10-36)23(13-17)39-3;1-17-4-6-18(7-5-17)25-26-20(27(2,33)16-40-26)15-24(34-25)28(37,29(30,31)32)11-10-21(36)19-8-9-22(39-13-12-35)23(14-19)38-3;1-18-5-7-19(8-6-18)26-27-21(28(2,30)17-37-27)16-25(31-26)29(3,34)12-11-22(33)20-9-10-23(36-14-13-32)24(15-20)35-4/h4-9,12-13,15,39H,10-11,14,16,35H2,1-3H3;5-9,14-16,33,35,37H,10-13,17,32H2,1-4H3;6-11,14-15,19,33,35H,12-13,16-17,31H2,1-5H3;4-7,12-14,36,38H,8-11,15,34H2,1-3H3;4-9,14-15,35,37H,10-13,16,33H2,1-3H3;5-10,15-16,32,34H,11-14,17,30H2,1-4H3
InChIKeyMDMHDSMRNDMLRG-UHFFFAOYSA-N
XLogP26.65
TPSA748.18 Ų
H-Bond Donors18
H-Bond Acceptors47
Rotatable Bonds57
Heavy Atoms237
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003278.56
LogP ≤ 526.65
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1047

Analyze 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one?
The IUPAC name of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one (CID 159535062) is 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one.
What is the SMILES notation for 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one?
The canonical SMILES for 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4c[nH]c5c(C)cccc45)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)C(F)(F)F)cc2c1CC(=O)C=C2.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)C(F)(F)F)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)N)C(F)(F)F)ccc1OCCO.
What is the InChIKey of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one?
The InChIKey is MDMHDSMRNDMLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N2O5.C31H35N3O6.C30H36N2O6.C29H30F4N2O6.C29H31F3N2O6.C29H34N2O6/c1-17-4-6-18(7-5-17)27-28-23(29(2,35)16-41-28)15-26(36-27)30(39,31(32,33)34)11-10-24(38)20-12-19-8-9-21(37)14-22(19)25(13-20)40-3;1-18-6-5-7-20-21(16-33-27(18)20)28-29-22(30(2,32)17-40-29)15-26(34-28)31(3,37)11-10-23(36)19-8-9-24(39-13-12-35)25(14-19)38-4;1-18-6-8-20(9-7-18)27-28-22(29(3,31)17-38-28)15-26(32-27)30(4,35)13-12-23(34)21-10-11-24(25(14-21)36-5)37-16-19(2)33;1-16-12-18(4-6-20(16)30)25-26-19(27(2,34)15-41-26)14-24(35-25)28(38,29(31,32)33)9-8-21(37)17-5-7-22(40-11-10-36)23(13-17)39-3;1-17-4-6-18(7-5-17)25-26-20(27(2,33)16-40-26)15-24(34-25)28(37,29(30,31)32)11-10-21(36)19-8-9-22(39-13-12-35)23(14-19)38-3;1-18-5-7-19(8-6-18)26-27-21(28(2,30)17-37-27)16-25(31-26)29(3,34)12-11-22(33)20-9-10-23(36-14-13-32)24(15-20)35-4/h4-9,12-13,15,39H,10-11,14,16,35H2,1-3H3;5-9,14-16,33,35,37H,10-13,17,32H2,1-4H3;6-11,14-15,19,33,35H,12-13,16-17,31H2,1-5H3;4-7,12-14,36,38H,8-11,15,34H2,1-3H3;4-9,14-15,35,37H,10-13,16,33H2,1-3H3;5-10,15-16,32,34H,11-14,17,30H2,1-4H3.
What are the key properties of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one?
4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one has a molecular weight of 3278.56 g/mol, XLogP of 26.65, 57 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(7-methyl-1H-indol-3-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;6-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one is sourced from PubChem (CID 159535062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).