(5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

C108H106F8N20O20 — CID 157481120

About (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 157481120) has the molecular formula C108H106F8N20O20 and a molecular weight of 2156.14 g/mol. Its IUPAC name is (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 157481120
• Molecular Formula: C108H106F8N20O20
• Molecular Weight: 2156.14 g/mol
• Exact Mass: 2154.78
• IUPAC Name: (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: CCCN1CC=C(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.CCCN1CCC(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.CCN1CCC(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5CCNCC5)c(F)cc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C28H29F2N5O5.C28H27F2N5O5.C27H27F2N5O5.C25H23F2N5O5/c2*1-3-8-34-9-6-15(7-10-34)24-17(29)11-20-18(31-24)12-21(40-20)28(26(37)32-27(38)33-28)14-35-13-16-4-5-19(39-2)23(30)22(16)25(35)36;1-3-33-8-6-14(7-9-33)23-16(28)10-19-17(30-23)11-20(39-19)27(25(36)31-26(37)32-27)13-34-12-15-4-5-18(38-2)22(29)21(15)24(34)35;1-36-16-3-2-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-9-15-17(37-18)8-14(26)21(29-15)12-4-6-28-7-5-12/h4-5,11-12,15H,3,6-10,13-14H2,1-2H3,(H2,32,33,37,38);4-6,11-12H,3,7-10,13-14H2,1-2H3,(H2,32,33,37,38);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H2,31,32,36,37);2-3,8-9,12,28H,4-7,10-11H2,1H3,(H2,30,31,34,35)/t2*28-;27-;25-/m0000/s1
• InChIKey: BWDZZSOBYJTKQY-FRFIVUTRSA-N
• XLogP: 11.98
• TPSA: 476.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2156.14
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 157481120) is (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is CCCN1CC=C(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.CCCN1CCC(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.CCN1CCC(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5CCNCC5)c(F)cc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

The InChIKey is BWDZZSOBYJTKQY-FRFIVUTRSA-N. The full InChI is InChI=1S/C28H29F2N5O5.C28H27F2N5O5.C27H27F2N5O5.C25H23F2N5O5/c2*1-3-8-34-9-6-15(7-10-34)24-17(29)11-20-18(31-24)12-21(40-20)28(26(37)32-27(38)33-28)14-35-13-16-4-5-19(39-2)23(30)22(16)25(35)36;1-3-33-8-6-14(7-9-33)23-16(28)10-19-17(30-23)11-20(39-19)27(25(36)31-26(37)32-27)13-34-12-15-4-5-18(38-2)22(29)21(15)24(34)35;1-36-16-3-2-13-10-32(22(33)19(13)20(16)27)11-25(23(34)30-24(35)31-25)18-9-15-17(37-18)8-14(26)21(29-15)12-4-6-28-7-5-12/h4-5,11-12,15H,3,6-10,13-14H2,1-2H3,(H2,32,33,37,38);4-6,11-12H,3,7-10,13-14H2,1-2H3,(H2,32,33,37,38);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H2,31,32,36,37);2-3,8-9,12,28H,4-7,10-11H2,1H3,(H2,30,31,34,35)/t2*28-;27-;25-/m0000/s1.

What are the key properties of (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione?

(5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 2156.14 g/mol, XLogP of 11.98, 25 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[5-(1-ethylpiperidin-4-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-fluoro-5-piperidin-4-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1-propylpiperidin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 157481120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).