4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate

C199H241N15O40 — CID 162158983

IUPAC4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate
SMILESCCC(=O)OC(C)COc1ccc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)cc1OC.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)OC(=O)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)OC(=O)C(N)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCOC(=O)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCOC(=O)C(N)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)CO)cc2cccnc12
InChIInChI=1S/C35H45N3O7.C34H43N3O7.C34H42N2O7.2C33H40N2O7.C30H31N3O5/c1-20(2)30(36)33(40)45-22(4)18-43-27-13-12-24(16-28(27)42-7)26(39)14-15-35(6,41)29-17-25-32(44-19-34(25,5)37)31(38-29)23-10-8-21(3)9-11-23;1-20(2)29(35)32(39)43-16-15-42-26-12-11-23(17-27(26)41-6)25(38)13-14-34(5,40)28-18-24-31(44-19-33(24,4)36)30(37-28)22-9-7-21(3)8-10-22;1-20(2)32(38)43-22(4)18-41-27-13-12-24(16-28(27)40-7)26(37)14-15-34(6,39)29-17-25-31(42-19-33(25,5)35)30(36-29)23-10-8-21(3)9-11-23;1-20(2)31(37)41-16-15-40-26-12-11-23(17-27(26)39-6)25(36)13-14-33(5,38)28-18-24-30(42-19-32(24,4)34)29(35-28)22-9-7-21(3)8-10-22;1-7-29(37)42-21(3)18-40-26-13-12-23(16-27(26)39-6)25(36)14-15-33(5,38)28-17-24-31(41-19-32(24,4)34)30(35-28)22-10-8-20(2)9-11-22;1-18-6-8-19(9-7-18)27-28-22(30(31,16-34)17-38-28)15-25(33-27)29(2,36)11-10-23(35)21-13-20-5-4-12-32-26(20)24(14-21)37-3/h8-13,16-17,20,22,30,41H,14-15,18-19,36-37H2,1-7H3;7-12,17-18,20,29,40H,13-16,19,35-36H2,1-6H3;8-13,16-17,20,22,39H,14-15,18-19,35H2,1-7H3;7-12,17-18,20,38H,13-16,19,34H2,1-6H3;8-13,16-17,21,38H,7,14-15,18-19,34H2,1-6H3;4-9,12-15,34,36H,10-11,16-17,31H2,1-3H3
InChIKeyZMFDOQSUKCMSHB-UHFFFAOYSA-N
MW3483.18 g/mol
LogP29.00
Rot. Bonds70

About 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate

4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate (PubChem CID 162158983) has the molecular formula C199H241N15O40 and a molecular weight of 3483.18 g/mol. Its IUPAC name is 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate.

Molecular Properties

Compound Name4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate
PubChem CID162158983
Molecular FormulaC199H241N15O40
Molecular Weight3483.18 g/mol
Exact Mass3480.73
IUPAC Name4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate
SMILESCCC(=O)OC(C)COc1ccc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)cc1OC.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)OC(=O)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)OC(=O)C(N)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCOC(=O)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCOC(=O)C(N)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)CO)cc2cccnc12
InChIInChI=1S/C35H45N3O7.C34H43N3O7.C34H42N2O7.2C33H40N2O7.C30H31N3O5/c1-20(2)30(36)33(40)45-22(4)18-43-27-13-12-24(16-28(27)42-7)26(39)14-15-35(6,41)29-17-25-32(44-19-34(25,5)37)31(38-29)23-10-8-21(3)9-11-23;1-20(2)29(35)32(39)43-16-15-42-26-12-11-23(17-27(26)41-6)25(38)13-14-34(5,40)28-18-24-31(44-19-33(24,4)36)30(37-28)22-9-7-21(3)8-10-22;1-20(2)32(38)43-22(4)18-41-27-13-12-24(16-28(27)40-7)26(37)14-15-34(6,39)29-17-25-31(42-19-33(25,5)35)30(36-29)23-10-8-21(3)9-11-23;1-20(2)31(37)41-16-15-40-26-12-11-23(17-27(26)39-6)25(36)13-14-33(5,38)28-18-24-30(42-19-32(24,4)34)29(35-28)22-9-7-21(3)8-10-22;1-7-29(37)42-21(3)18-40-26-13-12-23(16-27(26)39-6)25(36)14-15-33(5,38)28-17-24-31(41-19-32(24,4)34)30(35-28)22-10-8-20(2)9-11-22;1-18-6-8-19(9-7-18)27-28-22(30(31,16-34)17-38-28)15-25(33-27)29(2,36)11-10-23(35)21-13-20-5-4-12-32-26(20)24(14-21)37-3/h8-13,16-17,20,22,30,41H,14-15,18-19,36-37H2,1-7H3;7-12,17-18,20,29,40H,13-16,19,35-36H2,1-6H3;8-13,16-17,20,22,39H,14-15,18-19,35H2,1-7H3;7-12,17-18,20,38H,13-16,19,34H2,1-6H3;8-13,16-17,21,38H,7,14-15,18-19,34H2,1-6H3;4-9,12-15,34,36H,10-11,16-17,31H2,1-3H3
InChIKeyZMFDOQSUKCMSHB-UHFFFAOYSA-N
XLogP29.00
TPSA830.83 Ų
H-Bond Donors15
H-Bond Acceptors55
Rotatable Bonds70
Heavy Atoms254
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003483.18
LogP ≤ 529.00
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate?
The IUPAC name of 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate (CID 162158983) is 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate.
What is the SMILES notation for 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate?
The canonical SMILES for 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate is CCC(=O)OC(C)COc1ccc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)cc1OC.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)OC(=O)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCC(C)OC(=O)C(N)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCOC(=O)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(C)N)ccc1OCCOC(=O)C(N)C(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)cc4)n2)OCC3(N)CO)cc2cccnc12.
What is the InChIKey of 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate?
The InChIKey is ZMFDOQSUKCMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N3O7.C34H43N3O7.C34H42N2O7.2C33H40N2O7.C30H31N3O5/c1-20(2)30(36)33(40)45-22(4)18-43-27-13-12-24(16-28(27)42-7)26(39)14-15-35(6,41)29-17-25-32(44-19-34(25,5)37)31(38-29)23-10-8-21(3)9-11-23;1-20(2)29(35)32(39)43-16-15-42-26-12-11-23(17-27(26)41-6)25(38)13-14-34(5,40)28-18-24-31(44-19-33(24,4)36)30(37-28)22-9-7-21(3)8-10-22;1-20(2)32(38)43-22(4)18-41-27-13-12-24(16-28(27)40-7)26(37)14-15-34(6,39)29-17-25-31(42-19-33(25,5)35)30(36-29)23-10-8-21(3)9-11-23;1-20(2)31(37)41-16-15-40-26-12-11-23(17-27(26)39-6)25(36)13-14-33(5,38)28-18-24-30(42-19-32(24,4)34)29(35-28)22-9-7-21(3)8-10-22;1-7-29(37)42-21(3)18-40-26-13-12-23(16-27(26)39-6)25(36)14-15-33(5,38)28-17-24-31(41-19-32(24,4)34)30(35-28)22-10-8-20(2)9-11-22;1-18-6-8-19(9-7-18)27-28-22(30(31,16-34)17-38-28)15-25(33-27)29(2,36)11-10-23(35)21-13-20-5-4-12-32-26(20)24(14-21)37-3/h8-13,16-17,20,22,30,41H,14-15,18-19,36-37H2,1-7H3;7-12,17-18,20,29,40H,13-16,19,35-36H2,1-6H3;8-13,16-17,20,22,39H,14-15,18-19,35H2,1-7H3;7-12,17-18,20,38H,13-16,19,34H2,1-6H3;8-13,16-17,21,38H,7,14-15,18-19,34H2,1-6H3;4-9,12-15,34,36H,10-11,16-17,31H2,1-3H3.
What are the key properties of 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate?
4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate has a molecular weight of 3483.18 g/mol, XLogP of 29.00, 70 rotatable bonds, 15 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-3-(hydroxymethyl)-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-amino-3-methylbutanoate;2-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]ethyl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-amino-3-methylbutanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl 2-methylpropanoate;1-[4-[4-[3-amino-3-methyl-7-(4-methylphenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-2-methoxyphenoxy]propan-2-yl propanoate is sourced from PubChem (CID 162158983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).