4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C95H123ClF2N6O20S2 — CID 157372771

About 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 157372771) has the molecular formula C95H123ClF2N6O20S2 and a molecular weight of 1806.63 g/mol. Its IUPAC name is 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 157372771
• Molecular Formula: C95H123ClF2N6O20S2
• Molecular Weight: 1806.63 g/mol
• Exact Mass: 1804.79
• IUPAC Name: 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(N)C(C)C)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(NS(=O)C(C)(C)C)C(C)C)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(Cl)n2)OCC3(NS(=O)C(C)(C)C)C(C)C)ccc1OC[C@@H](C)O
• InChI: InChI=1S/C35H45FN2O7S.C31H37FN2O6.C29H41ClN2O7S/c1-21(2)35(38-46(42)33(4,5)6)20-45-32-26(35)18-30(37-31(32)23-9-12-25(36)13-10-23)34(7,41)16-15-27(40)24-11-14-28(29(17-24)43-8)44-19-22(3)39;1-18(2)31(33)17-40-29-23(31)15-27(34-28(29)20-6-9-22(32)10-7-20)30(4,37)13-12-24(36)21-8-11-25(26(14-21)38-5)39-16-19(3)35;1-17(2)29(32-40(36)27(4,5)6)16-39-25-20(29)14-24(31-26(25)30)28(7,35)12-11-21(34)19-9-10-22(23(13-19)37-8)38-15-18(3)33/h9-14,17-18,21-22,38-39,41H,15-16,19-20H2,1-8H3;6-11,14-15,18-19,35,37H,12-13,16-17,33H2,1-5H3;9-10,13-14,17-18,32-33,35H,11-12,15-16H2,1-8H3/t22-,34?,35?,46?;19-,30?,31?;18-,28?,29?,40?/m111/s1
• InChIKey: BJYPXBUYTUFZDV-ZBXADPNISA-N
• XLogP: 15.22
• TPSA: 378.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1806.63
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 157372771) is 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(N)C(C)C)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(NS(=O)C(C)(C)C)C(C)C)ccc1OC[C@@H](C)O.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(Cl)n2)OCC3(NS(=O)C(C)(C)C)C(C)C)ccc1OC[C@@H](C)O.

What is the InChIKey of 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is BJYPXBUYTUFZDV-ZBXADPNISA-N. The full InChI is InChI=1S/C35H45FN2O7S.C31H37FN2O6.C29H41ClN2O7S/c1-21(2)35(38-46(42)33(4,5)6)20-45-32-26(35)18-30(37-31(32)23-9-12-25(36)13-10-23)34(7,41)16-15-27(40)24-11-14-28(29(17-24)43-8)44-19-22(3)39;1-18(2)31(33)17-40-29-23(31)15-27(34-28(29)20-6-9-22(32)10-7-20)30(4,37)13-12-24(36)21-8-11-25(26(14-21)38-5)39-16-19(3)35;1-17(2)29(32-40(36)27(4,5)6)16-39-25-20(29)14-24(31-26(25)30)28(7,35)12-11-21(34)19-9-10-22(23(13-19)37-8)38-15-18(3)33/h9-14,17-18,21-22,38-39,41H,15-16,19-20H2,1-8H3;6-11,14-15,18-19,35,37H,12-13,16-17,33H2,1-5H3;9-10,13-14,17-18,32-33,35H,11-12,15-16H2,1-8H3/t22-,34?,35?,46?;19-,30?,31?;18-,28?,29?,40?/m111/s1.

What are the key properties of 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 1806.63 g/mol, XLogP of 15.22, 36 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-7-(4-fluorophenyl)-3-propan-2-yl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[7-chloro-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-3-propan-2-yl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 157372771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).