4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one

C184H193F9N10O32 — CID 167578948

IUPAC4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)O)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(Cn2cccn2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3C)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1.Cc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc(OCCO)c(F)c3)cc3c2OCC3(C)N)cc1
InChIInChI=1S/C34H33FN4O4.C31H31F4NO5.C31H34FNO6.2C30H32FNO6.C28H31FN2O5/c1-21-15-23(8-9-26(21)35)31-32-25(33(2,3)20-43-32)18-29(38-31)34(41,19-39-14-6-13-37-39)11-10-27(40)24-16-22-7-5-12-36-30(22)28(17-24)42-4;1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-40-28)15-26(36-27)30(38,31(33,34)35)12-11-23(37)18-6-10-24(25(14-18)39-4)41-20-7-8-20;1-18-14-21(4-8-24(18)32)29-30-23(19(2)17-39-30)16-28(33-29)31(36,22-6-7-22)11-10-25(35)20-5-9-26(38-13-12-34)27(15-20)37-3;1-17-13-19(5-9-22(17)31)27-28-21(30(3,35)16-37-28)15-26(32-27)29(2,34)12-11-23(33)18-6-10-24(25(14-18)36-4)38-20-7-8-20;1-18-15-20(3-7-23(18)31)28-29-21(10-13-38-29)17-27(32-28)30(35,22-5-6-22)11-9-24(34)19-4-8-25(37-14-12-33)26(16-19)36-2;1-17-4-6-18(7-5-17)25-26-20(27(2,30)16-36-26)15-24(31-25)28(3,34)11-10-22(33)19-8-9-23(21(29)14-19)35-13-12-32/h5-9,12-18,41H,10-11,19-20H2,1-4H3;5-6,9-10,13-15,20,38H,7-8,11-12,16H2,1-4H3;4-5,8-9,14-16,19,22,34,36H,6-7,10-13,17H2,1-3H3;5-6,9-10,13-15,20,34-35H,7-8,11-12,16H2,1-4H3;3-4,7-8,15-17,22,33,35H,5-6,9-14H2,1-2H3;4-9,14-15,32,34H,10-13,16,30H2,1-3H3/t;30-;;;;/m.0..../s1
InChIKeyGXKFRAAVFLTKKG-CZCNQXKZSA-N
MW3227.59 g/mol
LogP32.32
Rot. Bonds58

About 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one

4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one (PubChem CID 167578948) has the molecular formula C184H193F9N10O32 and a molecular weight of 3227.59 g/mol. Its IUPAC name is 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one.

Molecular Properties

Compound Name4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one
PubChem CID167578948
Molecular FormulaC184H193F9N10O32
Molecular Weight3227.59 g/mol
Exact Mass3225.36
IUPAC Name4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one
SMILESCOc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)O)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(Cn2cccn2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3C)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1.Cc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc(OCCO)c(F)c3)cc3c2OCC3(C)N)cc1
InChIInChI=1S/C34H33FN4O4.C31H31F4NO5.C31H34FNO6.2C30H32FNO6.C28H31FN2O5/c1-21-15-23(8-9-26(21)35)31-32-25(33(2,3)20-43-32)18-29(38-31)34(41,19-39-14-6-13-37-39)11-10-27(40)24-16-22-7-5-12-36-30(22)28(17-24)42-4;1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-40-28)15-26(36-27)30(38,31(33,34)35)12-11-23(37)18-6-10-24(25(14-18)39-4)41-20-7-8-20;1-18-14-21(4-8-24(18)32)29-30-23(19(2)17-39-30)16-28(33-29)31(36,22-6-7-22)11-10-25(35)20-5-9-26(38-13-12-34)27(15-20)37-3;1-17-13-19(5-9-22(17)31)27-28-21(30(3,35)16-37-28)15-26(32-27)29(2,34)12-11-23(33)18-6-10-24(25(14-18)36-4)38-20-7-8-20;1-18-15-20(3-7-23(18)31)28-29-21(10-13-38-29)17-27(32-28)30(35,22-5-6-22)11-9-24(34)19-4-8-25(37-14-12-33)26(16-19)36-2;1-17-4-6-18(7-5-17)25-26-20(27(2,30)16-36-26)15-24(31-25)28(3,34)11-10-22(33)19-8-9-23(21(29)14-19)35-13-12-32/h5-9,12-18,41H,10-11,19-20H2,1-4H3;5-6,9-10,13-15,20,38H,7-8,11-12,16H2,1-4H3;4-5,8-9,14-16,19,22,34,36H,6-7,10-13,17H2,1-3H3;5-6,9-10,13-15,20,34-35H,7-8,11-12,16H2,1-4H3;3-4,7-8,15-17,22,33,35H,5-6,9-14H2,1-2H3;4-9,14-15,32,34H,10-13,16,30H2,1-3H3/t;30-;;;;/m.0..../s1
InChIKeyGXKFRAAVFLTKKG-CZCNQXKZSA-N
XLogP32.32
TPSA586.47 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds58
Heavy Atoms235
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003227.59
LogP ≤ 532.32
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Analyze 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one?
The IUPAC name of 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one (CID 167578948) is 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one.
What is the SMILES notation for 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one?
The canonical SMILES for 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)O)ccc1OC1CC1.COc1cc(C(=O)CCC(O)(Cn2cccn2)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)cc2cccnc12.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3)C2CC2)ccc1OCCO.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3C)C2CC2)ccc1OCCO.COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)C(F)(F)F)ccc1OC1CC1.Cc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc(OCCO)c(F)c3)cc3c2OCC3(C)N)cc1.
What is the InChIKey of 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one?
The InChIKey is GXKFRAAVFLTKKG-CZCNQXKZSA-N. The full InChI is InChI=1S/C34H33FN4O4.C31H31F4NO5.C31H34FNO6.2C30H32FNO6.C28H31FN2O5/c1-21-15-23(8-9-26(21)35)31-32-25(33(2,3)20-43-32)18-29(38-31)34(41,19-39-14-6-13-37-39)11-10-27(40)24-16-22-7-5-12-36-30(22)28(17-24)42-4;1-17-13-19(5-9-22(17)32)27-28-21(29(2,3)16-40-28)15-26(36-27)30(38,31(33,34)35)12-11-23(37)18-6-10-24(25(14-18)39-4)41-20-7-8-20;1-18-14-21(4-8-24(18)32)29-30-23(19(2)17-39-30)16-28(33-29)31(36,22-6-7-22)11-10-25(35)20-5-9-26(38-13-12-34)27(15-20)37-3;1-17-13-19(5-9-22(17)31)27-28-21(30(3,35)16-37-28)15-26(32-27)29(2,34)12-11-23(33)18-6-10-24(25(14-18)36-4)38-20-7-8-20;1-18-15-20(3-7-23(18)31)28-29-21(10-13-38-29)17-27(32-28)30(35,22-5-6-22)11-9-24(34)19-4-8-25(37-14-12-33)26(16-19)36-2;1-17-4-6-18(7-5-17)25-26-20(27(2,30)16-36-26)15-24(31-25)28(3,34)11-10-22(33)19-8-9-23(21(29)14-19)35-13-12-32/h5-9,12-18,41H,10-11,19-20H2,1-4H3;5-6,9-10,13-15,20,38H,7-8,11-12,16H2,1-4H3;4-5,8-9,14-16,19,22,34,36H,6-7,10-13,17H2,1-3H3;5-6,9-10,13-15,20,34-35H,7-8,11-12,16H2,1-4H3;3-4,7-8,15-17,22,33,35H,5-6,9-14H2,1-2H3;4-9,14-15,32,34H,10-13,16,30H2,1-3H3/t;30-;;;;/m.0..../s1.
What are the key properties of 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one?
4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one has a molecular weight of 3227.59 g/mol, XLogP of 32.32, 58 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-1-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-4-hydroxypentan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;4-cyclopropyl-4-[7-(4-fluoro-3-methylphenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one;1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[7-(4-fluoro-3-methylphenyl)-3-hydroxy-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one;4-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)-5-pyrazol-1-ylpentan-1-one is sourced from PubChem (CID 167578948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).