(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione

C141H132ClF4N25O30 — CID 159210690

IUPAC(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESC.C.C.C.C.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cccnc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H24FN5O5.C27H25N5O5.C21H16FN3O5.C21H18N4O5.C20H15ClN4O5.C20H14F2N4O5.5CH4/c1-13-22(14(2)32(3)31-13)16-6-8-18-17(29-16)9-20(38-18)27(10-21(34)30-26(27)36)12-33-11-15-5-7-19(37-4)24(28)23(15)25(33)35;1-14-24(15(2)31(3)30-14)19-7-8-21-20(28-19)10-22(37-21)27(11-23(33)29-26(27)35)13-32-12-16-5-6-17(36-4)9-18(16)25(32)34;1-29-13-5-4-12-9-25(19(27)16(12)17(13)22)10-21(8-15(26)24-20(21)28)14-7-11-3-2-6-23-18(11)30-14;1-11-5-13-6-17(30-16(13)8-22-11)21(19(27)23-20(28)24-21)10-25-9-12-3-4-14(29-2)7-15(12)18(25)26;1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-22-16(13)21;1-30-12-3-2-9-7-26(17(27)15(9)16(12)22)8-20(18(28)24-19(29)25-20)14-5-11-13(31-14)4-10(21)6-23-11;;;;;/h5-9H,10-12H2,1-4H3,(H,30,34,36);5-10H,11-13H2,1-4H3,(H,29,33,35);2-7H,8-10H2,1H3,(H,24,26,28);3-8H,9-10H2,1-2H3,(H2,23,24,27,28);2-7H,8-9H2,1H3,(H2,23,24,27,28);2-6H,7-8H2,1H3,(H2,24,25,28,29);5*1H4/t2*27-;2*21-;2*20-;;;;;/m111000...../s1
InChIKeyKQLNMFQXACSUCX-PRFVALBDSA-N
MW2768.20 g/mol
LogP16.64
Rot. Bonds26

About (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione

(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (PubChem CID 159210690) has the molecular formula C141H132ClF4N25O30 and a molecular weight of 2768.20 g/mol. Its IUPAC name is (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
PubChem CID159210690
Molecular FormulaC141H132ClF4N25O30
Molecular Weight2768.20 g/mol
Exact Mass2765.92
IUPAC Name(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione
SMILESC.C.C.C.C.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cccnc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(F)cc4o3)NC(=O)NC1=O)C2
InChIInChI=1S/C27H24FN5O5.C27H25N5O5.C21H16FN3O5.C21H18N4O5.C20H15ClN4O5.C20H14F2N4O5.5CH4/c1-13-22(14(2)32(3)31-13)16-6-8-18-17(29-16)9-20(38-18)27(10-21(34)30-26(27)36)12-33-11-15-5-7-19(37-4)24(28)23(15)25(33)35;1-14-24(15(2)31(3)30-14)19-7-8-21-20(28-19)10-22(37-21)27(11-23(33)29-26(27)35)13-32-12-16-5-6-17(36-4)9-18(16)25(32)34;1-29-13-5-4-12-9-25(19(27)16(12)17(13)22)10-21(8-15(26)24-20(21)28)14-7-11-3-2-6-23-18(11)30-14;1-11-5-13-6-17(30-16(13)8-22-11)21(19(27)23-20(28)24-21)10-25-9-12-3-4-14(29-2)7-15(12)18(25)26;1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-22-16(13)21;1-30-12-3-2-9-7-26(17(27)15(9)16(12)22)8-20(18(28)24-19(29)25-20)14-5-11-13(31-14)4-10(21)6-23-11;;;;;/h5-9H,10-12H2,1-4H3,(H,30,34,36);5-10H,11-13H2,1-4H3,(H,29,33,35);2-7H,8-10H2,1H3,(H,24,26,28);3-8H,9-10H2,1-2H3,(H2,23,24,27,28);2-7H,8-9H2,1H3,(H2,23,24,27,28);2-6H,7-8H2,1H3,(H2,24,25,28,29);5*1H4/t2*27-;2*21-;2*20-;;;;;/m111000...../s1
InChIKeyKQLNMFQXACSUCX-PRFVALBDSA-N
XLogP16.64
TPSA682.17 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002768.20
LogP ≤ 516.64
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione (CID 159210690) is (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is C.C.C.C.C.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(Cl)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C)ncc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cccnc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(-c5c(C)nn(C)c5C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4ncc(F)cc4o3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
The InChIKey is KQLNMFQXACSUCX-PRFVALBDSA-N. The full InChI is InChI=1S/C27H24FN5O5.C27H25N5O5.C21H16FN3O5.C21H18N4O5.C20H15ClN4O5.C20H14F2N4O5.5CH4/c1-13-22(14(2)32(3)31-13)16-6-8-18-17(29-16)9-20(38-18)27(10-21(34)30-26(27)36)12-33-11-15-5-7-19(37-4)24(28)23(15)25(33)35;1-14-24(15(2)31(3)30-14)19-7-8-21-20(28-19)10-22(37-21)27(11-23(33)29-26(27)35)13-32-12-16-5-6-17(36-4)9-18(16)25(32)34;1-29-13-5-4-12-9-25(19(27)16(12)17(13)22)10-21(8-15(26)24-20(21)28)14-7-11-3-2-6-23-18(11)30-14;1-11-5-13-6-17(30-16(13)8-22-11)21(19(27)23-20(28)24-21)10-25-9-12-3-4-14(29-2)7-15(12)18(25)26;1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-22-16(13)21;1-30-12-3-2-9-7-26(17(27)15(9)16(12)22)8-20(18(28)24-19(29)25-20)14-5-11-13(31-14)4-10(21)6-23-11;;;;;/h5-9H,10-12H2,1-4H3,(H,30,34,36);5-10H,11-13H2,1-4H3,(H,29,33,35);2-7H,8-10H2,1H3,(H,24,26,28);3-8H,9-10H2,1-2H3,(H2,23,24,27,28);2-7H,8-9H2,1H3,(H2,23,24,27,28);2-6H,7-8H2,1H3,(H2,24,25,28,29);5*1H4/t2*27-;2*21-;2*20-;;;;;/m111000...../s1.
What are the key properties of (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione?
(5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione has a molecular weight of 2768.20 g/mol, XLogP of 16.64, 26 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-chlorofuro[3,2-c]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-(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-furo[2,3-b]pyridin-2-ylpyrrolidine-2,5-dione;(3R)-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione;methane;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-methylfuro[2,3-c]pyridin-2-yl)imidazolidine-2,4-dione;(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159210690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).