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

C108H143Cl2F2N9O23S3 — CID 160604178

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

(4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 160604178) has the molecular formula C108H143Cl2F2N9O23S3 and a molecular weight of 2140.47 g/mol. Its IUPAC name is (4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 160604178
• Molecular Formula: C108H143Cl2F2N9O23S3
• Molecular Weight: 2140.47 g/mol
• Exact Mass: 2137.88
• IUPAC Name: (4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC[C@@]1(NS(=O)C(C)(C)C)COc2c1cc([C@@](C)(O)CN)nc2Cl.CC[C@]1(N)COc2c1cc([C@](C)(O)CCC(=O)c1ccc(OC[C@@H](C)O)c(OC)c1)nc2-c1ccc(F)cc1.CC[C@]1(NS(=O)C(C)(C)C)COc2c1cc([C@](C)(O)CCC(=O)c1ccc(OC[C@@H](C)O)c(OC)c1)nc2-c1ccc(F)cc1.CC[C@]1(NS(=O)C(C)(C)C)COc2c1cc([C@](C)(O)CCC(=O)c1ccc(OC[C@@H](C)O)c(OC)c1)nc2Cl
• InChI: InChI=1S/C34H43FN2O7S.C30H35FN2O6.C28H39ClN2O7S.C16H26ClN3O3S/c1-8-34(37-45(41)32(3,4)5)20-44-31-25(34)18-29(36-30(31)22-9-12-24(35)13-10-22)33(6,40)16-15-26(39)23-11-14-27(28(17-23)42-7)43-19-21(2)38;1-5-30(32)17-39-28-22(30)15-26(33-27(28)19-6-9-21(31)10-7-19)29(3,36)13-12-23(35)20-8-11-24(25(14-20)37-4)38-16-18(2)34;1-8-28(31-39(35)26(3,4)5)16-38-24-19(28)14-23(30-25(24)29)27(6,34)12-11-20(33)18-9-10-21(22(13-18)36-7)37-15-17(2)32;1-6-16(20-24(22)14(2,3)4)9-23-12-10(16)7-11(19-13(12)17)15(5,21)8-18/h9-14,17-18,21,37-38,40H,8,15-16,19-20H2,1-7H3;6-11,14-15,18,34,36H,5,12-13,16-17,32H2,1-4H3;9-10,13-14,17,31-32,34H,8,11-12,15-16H2,1-7H3;7,20-21H,6,8-9,18H2,1-5H3/t21-,33-,34+,45?;18-,29-,30+;17-,27-,28+,39?;15-,16+,24?/m1110/s1
• InChIKey: REQUSUCKBOWXDD-UNOIGGKBSA-N
• XLogP: 16.43
• TPSA: 476.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 41
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.47
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 160604178) is (4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

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

The canonical SMILES for (4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is CC[C@@]1(NS(=O)C(C)(C)C)COc2c1cc([C@@](C)(O)CN)nc2Cl.CC[C@]1(N)COc2c1cc([C@](C)(O)CCC(=O)c1ccc(OC[C@@H](C)O)c(OC)c1)nc2-c1ccc(F)cc1.CC[C@]1(NS(=O)C(C)(C)C)COc2c1cc([C@](C)(O)CCC(=O)c1ccc(OC[C@@H](C)O)c(OC)c1)nc2-c1ccc(F)cc1.CC[C@]1(NS(=O)C(C)(C)C)COc2c1cc([C@](C)(O)CCC(=O)c1ccc(OC[C@@H](C)O)c(OC)c1)nc2Cl.

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

The InChIKey is REQUSUCKBOWXDD-UNOIGGKBSA-N. The full InChI is InChI=1S/C34H43FN2O7S.C30H35FN2O6.C28H39ClN2O7S.C16H26ClN3O3S/c1-8-34(37-45(41)32(3,4)5)20-44-31-25(34)18-29(36-30(31)22-9-12-24(35)13-10-22)33(6,40)16-15-26(39)23-11-14-27(28(17-23)42-7)43-19-21(2)38;1-5-30(32)17-39-28-22(30)15-26(33-27(28)19-6-9-21(31)10-7-19)29(3,36)13-12-23(35)20-8-11-24(25(14-20)37-4)38-16-18(2)34;1-8-28(31-39(35)26(3,4)5)16-38-24-19(28)14-23(30-25(24)29)27(6,34)12-11-20(33)18-9-10-21(22(13-18)36-7)37-15-17(2)32;1-6-16(20-24(22)14(2,3)4)9-23-12-10(16)7-11(19-13(12)17)15(5,21)8-18/h9-14,17-18,21,37-38,40H,8,15-16,19-20H2,1-7H3;6-11,14-15,18,34,36H,5,12-13,16-17,32H2,1-4H3;9-10,13-14,17,31-32,34H,8,11-12,15-16H2,1-7H3;7,20-21H,6,8-9,18H2,1-5H3/t21-,33-,34+,45?;18-,29-,30+;17-,27-,28+,39?;15-,16+,24?/m1110/s1.

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

(4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 2140.47 g/mol, XLogP of 16.43, 41 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(3R)-3-amino-3-ethyl-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]pentan-1-one;N-[(3S)-5-[(2S)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-ethyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-7-chloro-3-ethyl-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3R)-3-ethyl-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[4-[(2R)-2-hydroxypropoxy]-3-methoxyphenyl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 160604178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).