(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione

C143H127F6N27O25 — CID 159359591

IUPAC(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.Cc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C32H26F4N6O6.C30H27FN6O5.C30H28N6O5.C30H30N6O5.C21H16FN3O4/c1-47-22-4-2-18-15-42(28(44)26(18)27(22)33)16-31(14-25(43)39-29(31)45)23-13-20-21(48-23)5-3-19(38-20)17-6-7-37-24(12-17)40-8-10-41(11-9-40)30(46)32(34,35)36;1-41-22-4-2-18-15-37(28(39)26(18)27(22)31)16-30(14-25(38)35-29(30)40)23-13-20-21(42-23)5-3-19(34-20)17-6-7-33-24(12-17)36-10-8-32-9-11-36;1-40-20-3-2-19-16-36(28(38)21(19)13-20)17-30(15-27(37)34-29(30)39)25-14-23-24(41-25)5-4-22(33-23)18-6-7-32-26(12-18)35-10-8-31-9-11-35;1-40-21-8-7-18-16-35(28(38)22(18)11-21)17-30(13-27(37)34-29(30)39)25-12-23-24(41-25)9-10-26(33-23)36(20-14-31-32-15-20)19-5-3-2-4-6-19;1-11-4-5-12-9-25(19(27)17(12)18(11)22)10-21(8-16(26)24-20(21)28)15-7-13-14(29-15)3-2-6-23-13/h2-7,12-13H,8-11,14-16H2,1H3,(H,39,43,45);2-7,12-13,32H,8-11,14-16H2,1H3,(H,35,38,40);2-7,12-14,31H,8-11,15-17H2,1H3,(H,34,37,39);7-12,14-15,19H,2-6,13,16-17H2,1H3,(H,31,32)(H,34,37,39);2-7H,8-10H2,1H3,(H,24,26,28)/t31-;3*30-;21-/m11111/s1
InChIKeyLIJBXUVQRKRDHX-JSHODXEWSA-N
MW2737.74 g/mol
LogP14.01
Rot. Bonds28

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

(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 159359591) has the molecular formula C143H127F6N27O25 and a molecular weight of 2737.74 g/mol. Its IUPAC name is (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID159359591
Molecular FormulaC143H127F6N27O25
Molecular Weight2737.74 g/mol
Exact Mass2735.94
IUPAC Name(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.Cc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncccc4o3)CC(=O)NC1=O)C2
InChIInChI=1S/C32H26F4N6O6.C30H27FN6O5.C30H28N6O5.C30H30N6O5.C21H16FN3O4/c1-47-22-4-2-18-15-42(28(44)26(18)27(22)33)16-31(14-25(43)39-29(31)45)23-13-20-21(48-23)5-3-19(38-20)17-6-7-37-24(12-17)40-8-10-41(11-9-40)30(46)32(34,35)36;1-41-22-4-2-18-15-37(28(39)26(18)27(22)31)16-30(14-25(38)35-29(30)40)23-13-20-21(42-23)5-3-19(34-20)17-6-7-33-24(12-17)36-10-8-32-9-11-36;1-40-20-3-2-19-16-36(28(38)21(19)13-20)17-30(15-27(37)34-29(30)39)25-14-23-24(41-25)5-4-22(33-23)18-6-7-32-26(12-18)35-10-8-31-9-11-35;1-40-21-8-7-18-16-35(28(38)22(18)11-21)17-30(13-27(37)34-29(30)39)25-12-23-24(41-25)9-10-26(33-23)36(20-14-31-32-15-20)19-5-3-2-4-6-19;1-11-4-5-12-9-25(19(27)17(12)18(11)22)10-21(8-16(26)24-20(21)28)15-7-13-14(29-15)3-2-6-23-13/h2-7,12-13H,8-11,14-16H2,1H3,(H,39,43,45);2-7,12-13,32H,8-11,14-16H2,1H3,(H,35,38,40);2-7,12-14,31H,8-11,15-17H2,1H3,(H,34,37,39);7-12,14-15,19H,2-6,13,16-17H2,1H3,(H,31,32)(H,34,37,39);2-7H,8-10H2,1H3,(H,24,26,28)/t31-;3*30-;21-/m11111/s1
InChIKeyLIJBXUVQRKRDHX-JSHODXEWSA-N
XLogP14.01
TPSA624.15 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002737.74
LogP ≤ 514.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[piperidin-4-yl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 70234871
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 70235517
(5S)-5-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199506
(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[piperidin-4-yl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
CID 58053114
(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-(5-pyrazol-1-ylfuro[3,2-b]pyridin-2-yl)pyrrolidine-2,5-dione
CID 58053446
(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
CID 58053523
(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053644
(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
CID 58053680
(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[(1-methylpiperidin-4-yl)-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
CID 58053955
(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
CID 58054012
(3R)-3-[5-[2-(dimethylamino)ethyl-(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58054038
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrazol-4-ylamino)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 68081011

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 159359591) is (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCCCC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCN(C(=O)C(F)(F)F)CC6)c5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5ccnc(N6CCNCC6)c5)ccc4o3)CC(=O)NC1=O)C2.Cc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncccc4o3)CC(=O)NC1=O)C2.
What is the InChIKey of (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is LIJBXUVQRKRDHX-JSHODXEWSA-N. The full InChI is InChI=1S/C32H26F4N6O6.C30H27FN6O5.C30H28N6O5.C30H30N6O5.C21H16FN3O4/c1-47-22-4-2-18-15-42(28(44)26(18)27(22)33)16-31(14-25(43)39-29(31)45)23-13-20-21(48-23)5-3-19(38-20)17-6-7-37-24(12-17)40-8-10-41(11-9-40)30(46)32(34,35)36;1-41-22-4-2-18-15-37(28(39)26(18)27(22)31)16-30(14-25(38)35-29(30)40)23-13-20-21(42-23)5-3-19(34-20)17-6-7-33-24(12-17)36-10-8-32-9-11-36;1-40-20-3-2-19-16-36(28(38)21(19)13-20)17-30(15-27(37)34-29(30)39)25-14-23-24(41-25)5-4-22(33-23)18-6-7-32-26(12-18)35-10-8-31-9-11-35;1-40-21-8-7-18-16-35(28(38)22(18)11-21)17-30(13-27(37)34-29(30)39)25-12-23-24(41-25)9-10-26(33-23)36(20-14-31-32-15-20)19-5-3-2-4-6-19;1-11-4-5-12-9-25(19(27)17(12)18(11)22)10-21(8-16(26)24-20(21)28)15-7-13-14(29-15)3-2-6-23-13/h2-7,12-13H,8-11,14-16H2,1H3,(H,39,43,45);2-7,12-13,32H,8-11,14-16H2,1H3,(H,35,38,40);2-7,12-14,31H,8-11,15-17H2,1H3,(H,34,37,39);7-12,14-15,19H,2-6,13,16-17H2,1H3,(H,31,32)(H,34,37,39);2-7H,8-10H2,1H3,(H,24,26,28)/t31-;3*30-;21-/m11111/s1.
What are the key properties of (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
(3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 2737.74 g/mol, XLogP of 14.01, 28 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-[cyclohexyl(1H-pyrazol-4-yl)amino]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-[2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-4-pyridinyl]furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)methyl]-3-furo[3,2-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(2-piperazin-1-yl-4-pyridinyl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159359591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).