(3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione

C113H108F3N19O20 — CID 157066957

About (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione

(3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione (PubChem CID 157066957) has the molecular formula C113H108F3N19O20 and a molecular weight of 2109.21 g/mol. Its IUPAC name is (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
• PubChem CID: 157066957
• Molecular Formula: C113H108F3N19O20
• Molecular Weight: 2109.21 g/mol
• Exact Mass: 2107.80
• IUPAC Name: (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
• SMILES: CCCN1CCN(c2ccc3oc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)CC(=O)NC4=O)cc3n2)CC1.CCN1CCC(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cccnc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cccnc5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C32H31N5O5.C28H30FN5O5.C27H27F2N5O5.C26H20N4O5/c1-41-23-10-9-20-18-36(30(39)24(20)14-23)19-32(16-29(38)35-31(32)40)27-15-25-26(42-27)11-12-28(34-25)37(21-6-3-2-4-7-21)22-8-5-13-33-17-22;1-3-8-32-9-11-33(12-10-32)22-7-6-19-18(30-22)13-21(39-19)28(14-23(35)31-27(28)37)16-34-15-17-4-5-20(38-2)25(29)24(17)26(34)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;1-34-17-5-4-16-13-30(24(32)18(16)9-17)14-26(11-23(31)29-25(26)33)22-10-20-21(35-22)7-6-19(28-20)15-3-2-8-27-12-15/h5,8-15,17,21H,2-4,6-7,16,18-19H2,1H3,(H,35,38,40);4-7,13H,3,8-12,14-16H2,1-2H3,(H,31,35,37);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H2,31,32,36,37);2-10,12H,11,13-14H2,1H3,(H,29,31,33)/t32-;28-;27-;26-/m1101/s1
• InChIKey: ABZHDPPBFILVJG-MLAMZYTISA-N
• XLogP: 12.93
• TPSA: 457.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2109.21
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione?

The IUPAC name of (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione (CID 157066957) is (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione.

What is the SMILES notation for (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione?

The canonical SMILES for (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione is CCCN1CCN(c2ccc3oc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)CC(=O)NC4=O)cc3n2)CC1.CCN1CCC(c2nc3cc([C@]4(CN5Cc6ccc(OC)c(F)c6C5=O)NC(=O)NC4=O)oc3cc2F)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cccnc5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cccnc5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione?

The InChIKey is ABZHDPPBFILVJG-MLAMZYTISA-N. The full InChI is InChI=1S/C32H31N5O5.C28H30FN5O5.C27H27F2N5O5.C26H20N4O5/c1-41-23-10-9-20-18-36(30(39)24(20)14-23)19-32(16-29(38)35-31(32)40)27-15-25-26(42-27)11-12-28(34-25)37(21-6-3-2-4-7-21)22-8-5-13-33-17-22;1-3-8-32-9-11-33(12-10-32)22-7-6-19-18(30-22)13-21(39-19)28(14-23(35)31-27(28)37)16-34-15-17-4-5-20(38-2)25(29)24(17)26(34)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;1-34-17-5-4-16-13-30(24(32)18(16)9-17)14-26(11-23(31)29-25(26)33)22-10-20-21(35-22)7-6-19(28-20)15-3-2-8-27-12-15/h5,8-15,17,21H,2-4,6-7,16,18-19H2,1H3,(H,35,38,40);4-7,13H,3,8-12,14-16H2,1-2H3,(H,31,35,37);4-5,10-11,14H,3,6-9,12-13H2,1-2H3,(H2,31,32,36,37);2-10,12H,11,13-14H2,1H3,(H,29,31,33)/t32-;28-;27-;26-/m1101/s1.

What are the key properties of (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione?

(3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione has a molecular weight of 2109.21 g/mol, XLogP of 12.93, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[5-[cyclohexyl(pyridin-3-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-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;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(4-propylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyridin-3-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 157066957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).