3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione

C121H126Cl4F5N15O20 — CID 159770592

IUPAC3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione
SMILESCc1cc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)oc1C.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(C)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4(C)C)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC43CCCC3)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)o1
InChIInChI=1S/C26H27ClFN3O4.2C24H25ClFN3O4.C24H26FN3O4.C23H23ClFN3O4/c1-12-7-8-15(35-12)23(25(2,3)4)30-20-19(21(32)22(20)33)29-18-14(28)11-13(27)17-16(18)24(34)31-26(17)9-5-6-10-26;1-9-7-14(33-11(9)3)22(24(4,5)6)29-19-18(20(30)21(19)31)28-17-13(26)8-12(25)15-10(2)27-23(32)16(15)17;1-10-7-8-13(33-10)21(23(2,3)4)28-18-17(19(30)20(18)31)27-16-12(26)9-11(25)15-14(16)22(32)29-24(15,5)6;1-10-9-13(25)17(16-15(10)12(3)26-23(16)31)27-18-19(21(30)20(18)29)28-22(24(4,5)6)14-8-7-11(2)32-14;1-9-6-7-13(32-9)21(23(3,4)5)28-18-17(19(29)20(18)30)27-16-12(25)8-11(24)14-10(2)26-22(31)15(14)16/h7-8,11,23,29-30H,5-6,9-10H2,1-4H3,(H,31,34);7-8,10,22,28-29H,1-6H3,(H,27,32);7-9,21,27-28H,1-6H3,(H,29,32);7-9,12,22,27-28H,1-6H3,(H,26,31);6-8,10,21,27-28H,1-5H3,(H,26,31)/t23-;10?,22-;21-;12?,22-;10?,21-/m00000/s1
InChIKeyNGBFVCLKMMPTGM-AYYRCDDCSA-N
MW2347.23 g/mol
LogP24.46
Rot. Bonds25

About 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione

3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione (PubChem CID 159770592) has the molecular formula C121H126Cl4F5N15O20 and a molecular weight of 2347.23 g/mol. Its IUPAC name is 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione
PubChem CID159770592
Molecular FormulaC121H126Cl4F5N15O20
Molecular Weight2347.23 g/mol
Exact Mass2343.80
IUPAC Name3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione
SMILESCc1cc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)oc1C.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(C)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4(C)C)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC43CCCC3)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)o1
InChIInChI=1S/C26H27ClFN3O4.2C24H25ClFN3O4.C24H26FN3O4.C23H23ClFN3O4/c1-12-7-8-15(35-12)23(25(2,3)4)30-20-19(21(32)22(20)33)29-18-14(28)11-13(27)17-16(18)24(34)31-26(17)9-5-6-10-26;1-9-7-14(33-11(9)3)22(24(4,5)6)29-19-18(20(30)21(19)31)28-17-13(26)8-12(25)15-10(2)27-23(32)16(15)17;1-10-7-8-13(33-10)21(23(2,3)4)28-18-17(19(30)20(18)31)27-16-12(26)9-11(25)15-14(16)22(32)29-24(15,5)6;1-10-9-13(25)17(16-15(10)12(3)26-23(16)31)27-18-19(21(30)20(18)29)28-22(24(4,5)6)14-8-7-11(2)32-14;1-9-6-7-13(32-9)21(23(3,4)5)28-18-17(19(29)20(18)30)27-16-12(25)8-11(24)14-10(2)26-22(31)15(14)16/h7-8,11,23,29-30H,5-6,9-10H2,1-4H3,(H,31,34);7-8,10,22,28-29H,1-6H3,(H,27,32);7-9,21,27-28H,1-6H3,(H,29,32);7-9,12,22,27-28H,1-6H3,(H,26,31);6-8,10,21,27-28H,1-5H3,(H,26,31)/t23-;10?,22-;21-;12?,22-;10?,21-/m00000/s1
InChIKeyNGBFVCLKMMPTGM-AYYRCDDCSA-N
XLogP24.46
TPSA502.20 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002347.23
LogP ≤ 524.46
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione (CID 159770592) is 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione is Cc1cc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)oc1C.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(C)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4(C)C)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC43CCCC3)c(=O)c2=O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2c(Nc3c(F)cc(Cl)c4c3C(=O)NC4C)c(=O)c2=O)C(C)(C)C)o1.
What is the InChIKey of 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione?
The InChIKey is NGBFVCLKMMPTGM-AYYRCDDCSA-N. The full InChI is InChI=1S/C26H27ClFN3O4.2C24H25ClFN3O4.C24H26FN3O4.C23H23ClFN3O4/c1-12-7-8-15(35-12)23(25(2,3)4)30-20-19(21(32)22(20)33)29-18-14(28)11-13(27)17-16(18)24(34)31-26(17)9-5-6-10-26;1-9-7-14(33-11(9)3)22(24(4,5)6)29-19-18(20(30)21(19)31)28-17-13(26)8-12(25)15-10(2)27-23(32)16(15)17;1-10-7-8-13(33-10)21(23(2,3)4)28-18-17(19(30)20(18)31)27-16-12(26)9-11(25)15-14(16)22(32)29-24(15,5)6;1-10-9-13(25)17(16-15(10)12(3)26-23(16)31)27-18-19(21(30)20(18)29)28-22(24(4,5)6)14-8-7-11(2)32-14;1-9-6-7-13(32-9)21(23(3,4)5)28-18-17(19(29)20(18)30)27-16-12(25)8-11(24)14-10(2)26-22(31)15(14)16/h7-8,11,23,29-30H,5-6,9-10H2,1-4H3,(H,31,34);7-8,10,22,28-29H,1-6H3,(H,27,32);7-9,21,27-28H,1-6H3,(H,29,32);7-9,12,22,27-28H,1-6H3,(H,26,31);6-8,10,21,27-28H,1-5H3,(H,26,31)/t23-;10?,22-;21-;12?,22-;10?,21-/m00000/s1.
What are the key properties of 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione?
3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione has a molecular weight of 2347.23 g/mol, XLogP of 24.46, 25 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-5-fluoro-1,1-dimethyl-3-oxo-2H-isoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-1-methyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[(7-chloro-5-fluoro-3-oxospiro[2H-isoindole-1,1'-cyclopentane]-4-yl)amino]-4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]cyclobut-3-ene-1,2-dione;3-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-4-[(5-fluoro-1,7-dimethyl-3-oxo-1,2-dihydroisoindol-4-yl)amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 159770592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).