(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione

C92H88FN19O18S3 — CID 160997648

About (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione

(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione (PubChem CID 160997648) has the molecular formula C92H88FN19O18S3 and a molecular weight of 1863.03 g/mol. Its IUPAC name is (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 160997648
• Molecular Formula: C92H88FN19O18S3
• Molecular Weight: 1863.03 g/mol
• Exact Mass: 1861.57
• IUPAC Name: (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione
• SMILES: CCN1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.CN(C)C1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(C)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2CCc3ccsc3C2=O)(c2cc3ncccc3o2)N1
• InChI: InChI=1S/C25H20FN3O6.C25H28N6O4S.C24H26N6O4S.C18H14N4O4S/c1-11-18-12(3-5-15(18)30)7-14-8-17(35-21(11)14)25(23(32)27-24(33)28-25)10-29-9-13-4-6-16(34-2)20(26)19(13)22(29)31;1-29(2)16-6-10-30(11-7-16)20-4-3-18-17(26-20)13-19(35-18)25(23(33)27-24(34)28-25)14-31-9-5-15-8-12-36-21(15)22(31)32;1-2-28-8-10-29(11-9-28)19-4-3-17-16(25-19)13-18(34-17)24(22(32)26-23(33)27-24)14-30-7-5-15-6-12-35-20(15)21(30)31;23-15-14-10(4-7-27-14)3-6-22(15)9-18(16(24)20-17(25)21-18)13-8-11-12(26-13)2-1-5-19-11/h4,6-8H,3,5,9-10H2,1-2H3,(H2,27,28,32,33);3-4,8,12-13,16H,5-7,9-11,14H2,1-2H3,(H2,27,28,33,34);3-4,6,12-13H,2,5,7-11,14H2,1H3,(H2,26,27,32,33);1-2,4-5,7-8H,3,6,9H2,(H2,20,21,24,25)/t2*25-;24-;18-/m0000/s1
• InChIKey: TVLOTQBRYWZIGM-NKOCPNQNSA-N
• XLogP: 8.25
• TPSA: 444.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1863.03
LogP ≤ 5	8.25
H-Bond Donors ≤ 5	8
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-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione (CID 160997648) is (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione is CCN1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.CN(C)C1CCN(c2ccc3oc([C@]4(CN5CCc6ccsc6C5=O)NC(=O)NC4=O)cc3n2)CC1.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cc5c(c(C)c4o3)C(=O)CC5)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2CCc3ccsc3C2=O)(c2cc3ncccc3o2)N1.

What is the InChIKey of (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is TVLOTQBRYWZIGM-NKOCPNQNSA-N. The full InChI is InChI=1S/C25H20FN3O6.C25H28N6O4S.C24H26N6O4S.C18H14N4O4S/c1-11-18-12(3-5-15(18)30)7-14-8-17(35-21(11)14)25(23(32)27-24(33)28-25)10-29-9-13-4-6-16(34-2)20(26)19(13)22(29)31;1-29(2)16-6-10-30(11-7-16)20-4-3-18-17(26-20)13-19(35-18)25(23(33)27-24(34)28-25)14-31-9-5-15-8-12-36-21(15)22(31)32;1-2-28-8-10-29(11-9-28)19-4-3-17-16(25-19)13-18(34-17)24(22(32)26-23(33)27-24)14-30-7-5-15-6-12-35-20(15)21(30)31;23-15-14-10(4-7-27-14)3-6-22(15)9-18(16(24)20-17(25)21-18)13-8-11-12(26-13)2-1-5-19-11/h4,6-8H,3,5,9-10H2,1-2H3,(H2,27,28,32,33);3-4,8,12-13,16H,5-7,9-11,14H2,1-2H3,(H2,27,28,33,34);3-4,6,12-13H,2,5,7-11,14H2,1H3,(H2,26,27,32,33);1-2,4-5,7-8H,3,6,9H2,(H2,20,21,24,25)/t2*25-;24-;18-/m0000/s1.

What are the key properties of (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione?

(5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 1863.03 g/mol, XLogP of 8.25, 17 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[5-[4-(dimethylamino)piperidin-1-yl]furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[5-(4-ethylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(8-methyl-7-oxo-5,6-dihydrocyclopenta[f][1]benzofuran-2-yl)imidazolidine-2,4-dione;(5S)-5-furo[3,2-b]pyridin-2-yl-5-[(7-oxo-4,5-dihydrothieno[2,3-c]pyridin-6-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 160997648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).