(5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate

C101H86F8N22O22 — CID 157387451

About (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate

(5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate (PubChem CID 157387451) has the molecular formula C101H86F8N22O22 and a molecular weight of 2111.91 g/mol. Its IUPAC name is (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate.

Molecular Properties

• Compound Name: (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate
• PubChem CID: 157387451
• Molecular Formula: C101H86F8N22O22
• Molecular Weight: 2111.91 g/mol
• Exact Mass: 2110.62
• IUPAC Name: (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate
• SMILES: CCN1CC=C(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.COC(=O)NCCNc1nc2cc([C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)NC3=O)oc2cc1F.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5=CCNCC5)c(F)cc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H25F2N5O5.C25H18F2N6O5.C25H21F2N5O5.C24H22F2N6O7/c1-3-33-8-6-14(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;1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11;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;1-37-14-4-3-11-9-32(20(33)17(11)18(14)26)10-24(21(34)30-22(35)31-24)16-8-13-15(39-16)7-12(25)19(29-13)27-5-6-28-23(36)38-2/h4-6,10-11H,3,7-9,12-13H2,1-2H3,(H2,31,32,36,37);2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36);2-4,8-9,28H,5-7,10-11H2,1H3,(H2,30,31,34,35);3-4,7-8H,5-6,9-10H2,1-2H3,(H,27,29)(H,28,36)(H2,30,31,34,35)/t27-;2*25-;24-/m0000/s1
• InChIKey: BLPHPBCMNAITHP-XSKQFKKZSA-N
• XLogP: 9.12
• TPSA: 559.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2111.91
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate?

The IUPAC name of (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate (CID 157387451) is (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate.

What is the SMILES notation for (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate?

The canonical SMILES for (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate is CCN1CC=C(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.COC(=O)NCCNc1nc2cc([C@]3(CN4Cc5ccc(OC)c(F)c5C4=O)NC(=O)NC3=O)oc2cc1F.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccc(N)nc5)c(F)cc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(C5=CCNCC5)c(F)cc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate?

The InChIKey is BLPHPBCMNAITHP-XSKQFKKZSA-N. The full InChI is InChI=1S/C27H25F2N5O5.C25H18F2N6O5.C25H21F2N5O5.C24H22F2N6O7/c1-3-33-8-6-14(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;1-37-15-4-2-12-9-33(22(34)19(12)20(15)27)10-25(23(35)31-24(36)32-25)17-7-14-16(38-17)6-13(26)21(30-14)11-3-5-18(28)29-8-11;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;1-37-14-4-3-11-9-32(20(33)17(11)18(14)26)10-24(21(34)30-22(35)31-24)16-8-13-15(39-16)7-12(25)19(29-13)27-5-6-28-23(36)38-2/h4-6,10-11H,3,7-9,12-13H2,1-2H3,(H2,31,32,36,37);2-8H,9-10H2,1H3,(H2,28,29)(H2,31,32,35,36);2-4,8-9,28H,5-7,10-11H2,1H3,(H2,30,31,34,35);3-4,7-8H,5-6,9-10H2,1-2H3,(H,27,29)(H,28,36)(H2,30,31,34,35)/t27-;2*25-;24-/m0000/s1.

What are the key properties of (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate?

(5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate has a molecular weight of 2111.91 g/mol, XLogP of 9.12, 24 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[5-(6-amino-3-pyridinyl)-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-[5-(1-ethyl-3,6-dihydro-2H-pyridin-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-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione;methyl N-[2-[[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]amino]ethyl]carbamate is sourced from PubChem (CID 157387451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).