5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C164H164F2N24O21 — CID 167590474

IUPAC5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4cc5c(cc4F)CN(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1
InChIInChI=1S/2C41H41FN6O5.C41H40N6O6.C41H42N6O5/c1-24-6-7-27(38-25(2)45-53-26(38)3)19-35(24)47(30-10-8-29(9-11-30)41(43-4)14-15-41)16-5-17-52-31-22-46(23-31)36-20-32-28(18-33(36)42)21-48(40(32)51)34-12-13-37(49)44-39(34)50;1-24-6-7-27(38-25(2)45-53-26(38)3)18-35(24)47(30-10-8-29(9-11-30)41(43-4)14-15-41)16-5-17-52-31-22-46(23-31)36-19-28-21-48(40(51)32(28)20-33(36)42)34-12-13-37(49)44-39(34)50;1-24-6-7-27(37-25(2)44-53-26(37)3)20-35(24)46(29-10-8-28(9-11-29)41(42-4)16-17-41)18-5-19-52-31-22-45(23-31)30-12-13-32-33(21-30)40(51)47(39(32)50)34-14-15-36(48)43-38(34)49;1-25-6-7-28(38-26(2)44-52-27(38)3)21-36(25)46(31-10-8-30(9-11-31)41(42-4)16-17-41)18-5-19-51-33-23-45(24-33)32-12-13-34-29(20-32)22-47(40(34)50)35-14-15-37(48)43-39(35)49/h2*6-11,18-20,31,34H,5,12-17,21-23H2,1-3H3,(H,44,49,50);6-13,20-21,31,34H,5,14-19,22-23H2,1-3H3,(H,43,48,49);6-13,20-21,33,35H,5,14-19,22-24H2,1-3H3,(H,43,48,49)
InChIKeyIJFVGPPUOFQACF-UHFFFAOYSA-N
MW2845.26 g/mol
LogP25.40
Rot. Bonds44

About 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167590474) has the molecular formula C164H164F2N24O21 and a molecular weight of 2845.26 g/mol. Its IUPAC name is 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167590474
Molecular FormulaC164H164F2N24O21
Molecular Weight2845.26 g/mol
Exact Mass2843.25
IUPAC Name5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4cc5c(cc4F)CN(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1
InChIInChI=1S/2C41H41FN6O5.C41H40N6O6.C41H42N6O5/c1-24-6-7-27(38-25(2)45-53-26(38)3)19-35(24)47(30-10-8-29(9-11-30)41(43-4)14-15-41)16-5-17-52-31-22-46(23-31)36-20-32-28(18-33(36)42)21-48(40(32)51)34-12-13-37(49)44-39(34)50;1-24-6-7-27(38-25(2)45-53-26(38)3)18-35(24)47(30-10-8-29(9-11-30)41(43-4)14-15-41)16-5-17-52-31-22-46(23-31)36-19-28-21-48(40(51)32(28)20-33(36)42)34-12-13-37(49)44-39(34)50;1-24-6-7-27(37-25(2)44-53-26(37)3)20-35(24)46(29-10-8-28(9-11-29)41(42-4)16-17-41)18-5-19-52-31-22-45(23-31)30-12-13-32-33(21-30)40(51)47(39(32)50)34-14-15-36(48)43-38(34)49;1-25-6-7-28(38-26(2)44-52-27(38)3)21-36(25)46(31-10-8-30(9-11-31)41(42-4)16-17-41)18-5-19-51-33-23-45(24-33)32-12-13-34-29(20-32)22-47(40(34)50)35-14-15-37(48)43-39(35)49/h2*6-11,18-20,31,34H,5,12-17,21-23H2,1-3H3,(H,44,49,50);6-13,20-21,31,34H,5,14-19,22-23H2,1-3H3,(H,43,48,49);6-13,20-21,33,35H,5,14-19,22-24H2,1-3H3,(H,43,48,49)
InChIKeyIJFVGPPUOFQACF-UHFFFAOYSA-N
XLogP25.40
TPSA467.39 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds44
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002845.26
LogP ≤ 525.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167590474) is 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is [C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4cc5c(cc4F)CN(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CCCOC3CN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.
What is the InChIKey of 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is IJFVGPPUOFQACF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H41FN6O5.C41H40N6O6.C41H42N6O5/c1-24-6-7-27(38-25(2)45-53-26(38)3)19-35(24)47(30-10-8-29(9-11-30)41(43-4)14-15-41)16-5-17-52-31-22-46(23-31)36-20-32-28(18-33(36)42)21-48(40(32)51)34-12-13-37(49)44-39(34)50;1-24-6-7-27(38-25(2)45-53-26(38)3)18-35(24)47(30-10-8-29(9-11-30)41(43-4)14-15-41)16-5-17-52-31-22-46(23-31)36-19-28-21-48(40(51)32(28)20-33(36)42)34-12-13-37(49)44-39(34)50;1-24-6-7-27(37-25(2)44-53-26(37)3)20-35(24)46(29-10-8-28(9-11-29)41(42-4)16-17-41)18-5-19-52-31-22-45(23-31)30-12-13-32-33(21-30)40(51)47(39(32)50)34-14-15-36(48)43-38(34)49;1-25-6-7-28(38-26(2)44-52-27(38)3)21-36(25)46(31-10-8-30(9-11-31)41(42-4)16-17-41)18-5-19-51-33-23-45(24-33)32-12-13-34-29(20-32)22-47(40(34)50)35-14-15-37(48)43-39(35)49/h2*6-11,18-20,31,34H,5,12-17,21-23H2,1-3H3,(H,44,49,50);6-13,20-21,31,34H,5,14-19,22-23H2,1-3H3,(H,43,48,49);6-13,20-21,33,35H,5,14-19,22-24H2,1-3H3,(H,43,48,49).
What are the key properties of 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2845.26 g/mol, XLogP of 25.40, 44 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-[5-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[3-[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]propoxy]azetidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167590474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).