4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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

C147H168F4N10O28 — CID 159440224

About 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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 (PubChem CID 159440224) has the molecular formula C147H168F4N10O28 and a molecular weight of 2598.99 g/mol. Its IUPAC name is 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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.

Molecular Properties

• Compound Name: 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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
• PubChem CID: 159440224
• Molecular Formula: C147H168F4N10O28
• Molecular Weight: 2598.99 g/mol
• Exact Mass: 2597.20
• IUPAC Name: 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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
• SMILES: COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)c(F)c4)n2)OCC3(C)N)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)N)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)N)ccc1OCCO.Cc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc(OC4CC4)c(CO)c3)cc3c2OCC3(C)N)cc1.Cc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc(OCCO)c(F)c3)cc3c2OCC3(C)N)cc1
• InChI: InChI=1S/2C30H35FN2O6.C30H34N2O5.C29H33FN2O6.C28H31FN2O5/c1-17-12-20(6-8-22(17)31)27-28-21(29(3,32)16-39-28)14-26(33-27)30(4,36)11-10-23(35)19-7-9-24(25(13-19)37-5)38-15-18(2)34;1-17-6-7-20(12-22(17)31)27-28-21(29(3,32)16-39-28)14-26(33-27)30(4,36)11-10-23(35)19-8-9-24(25(13-19)37-5)38-15-18(2)34;1-18-4-6-19(7-5-18)27-28-23(29(2,31)17-36-28)15-26(32-27)30(3,35)13-12-24(34)20-8-11-25(21(14-20)16-33)37-22-9-10-22;1-17-13-19(5-7-21(17)30)26-27-20(28(2,31)16-38-27)15-25(32-26)29(3,35)10-9-22(34)18-6-8-23(37-12-11-33)24(14-18)36-4;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/h2*6-9,12-14,18,34,36H,10-11,15-16,32H2,1-5H3;4-8,11,14-15,22,33,35H,9-10,12-13,16-17,31H2,1-3H3;5-8,13-15,33,35H,9-12,16,31H2,1-4H3;4-9,14-15,32,34H,10-13,16,30H2,1-3H3
• InChIKey: LSBOZJJQTCHARR-UHFFFAOYSA-N
• XLogP: 21.35
• TPSA: 602.19 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 38
• Rotatable Bonds: 48
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2598.99
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	38

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]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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?

The IUPAC name of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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 (CID 159440224) is 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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.

What is the SMILES notation for 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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?

The canonical SMILES for 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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 is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(C)c(F)c4)n2)OCC3(C)N)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)N)ccc1OCC(C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)N)ccc1OCCO.Cc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc(OC4CC4)c(CO)c3)cc3c2OCC3(C)N)cc1.Cc1ccc(-c2nc(C(C)(O)CCC(=O)c3ccc(OCCO)c(F)c3)cc3c2OCC3(C)N)cc1.

What is the InChIKey of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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?

The InChIKey is LSBOZJJQTCHARR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H35FN2O6.C30H34N2O5.C29H33FN2O6.C28H31FN2O5/c1-17-12-20(6-8-22(17)31)27-28-21(29(3,32)16-39-28)14-26(33-27)30(4,36)11-10-23(35)19-7-9-24(25(13-19)37-5)38-15-18(2)34;1-17-6-7-20(12-22(17)31)27-28-21(29(3,32)16-39-28)14-26(33-27)30(4,36)11-10-23(35)19-8-9-24(25(13-19)37-5)38-15-18(2)34;1-18-4-6-19(7-5-18)27-28-23(29(2,31)17-36-28)15-26(32-27)30(3,35)13-12-24(34)20-8-11-25(21(14-20)16-33)37-22-9-10-22;1-17-13-19(5-7-21(17)30)26-27-20(28(2,31)16-38-27)15-25(32-26)29(3,35)10-9-22(34)18-6-8-23(37-12-11-33)24(14-18)36-4;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/h2*6-9,12-14,18,34,36H,10-11,15-16,32H2,1-5H3;4-8,11,14-15,22,33,35H,9-10,12-13,16-17,31H2,1-3H3;5-8,13-15,33,35H,9-12,16,31H2,1-4H3;4-9,14-15,32,34H,10-13,16,30H2,1-3H3.

What are the key properties of 4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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 has a molecular weight of 2598.99 g/mol, XLogP of 21.35, 48 rotatable bonds, 15 hydrogen bond donors, and 38 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]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxypropoxy)-3-methoxyphenyl]pentan-1-one;4-[3-amino-7-(4-fluoro-3-methylphenyl)-3-methyl-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]-1-[4-cyclopropyloxy-3-(hydroxymethyl)phenyl]-4-hydroxypentan-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 is sourced from PubChem (CID 159440224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).