3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

C187H189F3N18O32S — CID 158012837

IUPAC3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
SMILESCC1=CC(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)=NC1N.C[C@]1(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)CCC(=O)CC1=O.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCSCC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@H]5C(F)(F)F)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCOc6ccccc65)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6ccccc6C5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4cn5cc(CN6CCOCC6)ccc5n4)cccc3C2=O)C(=O)C1
InChIInChI=1S/C31H30N2O4.C30H28N2O5.C27H27F3N2O4.C27H28N4O5.C27H30N2O5.C26H26N2O5S.C19H20N4O4/c34-25-12-13-28(29(35)16-25)33-19-27-26(31(33)36)6-3-7-30(27)37-20-22-10-8-21(9-11-22)17-32-15-14-23-4-1-2-5-24(23)18-32;33-22-12-13-25(27(34)16-22)32-18-24-23(30(32)35)4-3-7-28(24)37-19-21-10-8-20(9-11-21)17-31-14-15-36-29-6-2-1-5-26(29)31;28-27(29,30)25-5-2-12-31(25)14-17-6-8-18(9-7-17)16-36-24-4-1-3-20-21(24)15-32(26(20)35)22-11-10-19(33)13-23(22)34;32-20-5-6-23(24(33)12-20)31-16-22-21(27(31)34)2-1-3-25(22)36-17-19-15-30-14-18(4-7-26(30)28-19)13-29-8-10-35-11-9-29;1-27(10-9-21(30)15-25(27)31)29-17-23-22(26(29)32)3-2-4-24(23)34-18-20-7-5-19(6-8-20)16-28-11-13-33-14-12-28;29-19-8-9-21(22(30)14-19)28-25(31)20-2-1-3-23(24(20)26(28)32)33-16-18-6-4-17(5-7-18)15-27-10-12-34-13-11-27;1-10-7-11(21-17(10)20)9-27-15-4-2-3-12-13(15)8-23(19(12)26)14-5-6-16(24)22-18(14)25/h1-11,28H,12-20H2;1-11,25H,12-19H2;1,3-4,6-9,22,25H,2,5,10-16H2;1-4,7,14-15,23H,5-6,8-13,16-17H2;2-8H,9-18H2,1H3;1-7,21H,8-16H2;2-4,7,14,17H,5-6,8-9,20H2,1H3,(H,22,24,25)/t;;22?,25-;;27-;;/m..0.0../s1
InChIKeyFFCIVZTVTHKJEA-PJBJZBPYSA-N
MW3289.72 g/mol
LogP22.36
Rot. Bonds40

About 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione

3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (PubChem CID 158012837) has the molecular formula C187H189F3N18O32S and a molecular weight of 3289.72 g/mol. Its IUPAC name is 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.

Molecular Properties

Compound Name3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
PubChem CID158012837
Molecular FormulaC187H189F3N18O32S
Molecular Weight3289.72 g/mol
Exact Mass3287.34
IUPAC Name3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione
SMILESCC1=CC(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)=NC1N.C[C@]1(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)CCC(=O)CC1=O.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCSCC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@H]5C(F)(F)F)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCOc6ccccc65)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6ccccc6C5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4cn5cc(CN6CCOCC6)ccc5n4)cccc3C2=O)C(=O)C1
InChIInChI=1S/C31H30N2O4.C30H28N2O5.C27H27F3N2O4.C27H28N4O5.C27H30N2O5.C26H26N2O5S.C19H20N4O4/c34-25-12-13-28(29(35)16-25)33-19-27-26(31(33)36)6-3-7-30(27)37-20-22-10-8-21(9-11-22)17-32-15-14-23-4-1-2-5-24(23)18-32;33-22-12-13-25(27(34)16-22)32-18-24-23(30(32)35)4-3-7-28(24)37-19-21-10-8-20(9-11-21)17-31-14-15-36-29-6-2-1-5-26(29)31;28-27(29,30)25-5-2-12-31(25)14-17-6-8-18(9-7-17)16-36-24-4-1-3-20-21(24)15-32(26(20)35)22-11-10-19(33)13-23(22)34;32-20-5-6-23(24(33)12-20)31-16-22-21(27(31)34)2-1-3-25(22)36-17-19-15-30-14-18(4-7-26(30)28-19)13-29-8-10-35-11-9-29;1-27(10-9-21(30)15-25(27)31)29-17-23-22(26(29)32)3-2-4-24(23)34-18-20-7-5-19(6-8-20)16-28-11-13-33-14-12-28;29-19-8-9-21(22(30)14-19)28-25(31)20-2-1-3-23(24(20)26(28)32)33-16-18-6-4-17(5-7-18)15-27-10-12-34-13-11-27;1-10-7-11(21-17(10)20)9-27-15-4-2-3-12-13(15)8-23(19(12)26)14-5-6-16(24)22-18(14)25/h1-11,28H,12-20H2;1-11,25H,12-19H2;1,3-4,6-9,22,25H,2,5,10-16H2;1-4,7,14-15,23H,5-6,8-13,16-17H2;2-8H,9-18H2,1H3;1-7,21H,8-16H2;2-4,7,14,17H,5-6,8-9,20H2,1H3,(H,22,24,25)/t;;22?,25-;;27-;;/m..0.0../s1
InChIKeyFFCIVZTVTHKJEA-PJBJZBPYSA-N
XLogP22.36
TPSA577.67 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds40
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003289.72
LogP ≤ 522.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The IUPAC name of 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione (CID 158012837) is 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione.
What is the SMILES notation for 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The canonical SMILES for 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is CC1=CC(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)=NC1N.C[C@]1(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)CCC(=O)CC1=O.O=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCSCC5)cc4)c3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCC[C@H]5C(F)(F)F)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCOc6ccccc65)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4ccc(CN5CCc6ccccc6C5)cc4)cccc3C2=O)C(=O)C1.O=C1CCC(N2Cc3c(OCc4cn5cc(CN6CCOCC6)ccc5n4)cccc3C2=O)C(=O)C1.
What is the InChIKey of 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
The InChIKey is FFCIVZTVTHKJEA-PJBJZBPYSA-N. The full InChI is InChI=1S/C31H30N2O4.C30H28N2O5.C27H27F3N2O4.C27H28N4O5.C27H30N2O5.C26H26N2O5S.C19H20N4O4/c34-25-12-13-28(29(35)16-25)33-19-27-26(31(33)36)6-3-7-30(27)37-20-22-10-8-21(9-11-22)17-32-15-14-23-4-1-2-5-24(23)18-32;33-22-12-13-25(27(34)16-22)32-18-24-23(30(32)35)4-3-7-28(24)37-19-21-10-8-20(9-11-21)17-31-14-15-36-29-6-2-1-5-26(29)31;28-27(29,30)25-5-2-12-31(25)14-17-6-8-18(9-7-17)16-36-24-4-1-3-20-21(24)15-32(26(20)35)22-11-10-19(33)13-23(22)34;32-20-5-6-23(24(33)12-20)31-16-22-21(27(31)34)2-1-3-25(22)36-17-19-15-30-14-18(4-7-26(30)28-19)13-29-8-10-35-11-9-29;1-27(10-9-21(30)15-25(27)31)29-17-23-22(26(29)32)3-2-4-24(23)34-18-20-7-5-19(6-8-20)16-28-11-13-33-14-12-28;29-19-8-9-21(22(30)14-19)28-25(31)20-2-1-3-23(24(20)26(28)32)33-16-18-6-4-17(5-7-18)15-27-10-12-34-13-11-27;1-10-7-11(21-17(10)20)9-27-15-4-2-3-12-13(15)8-23(19(12)26)14-5-6-16(24)22-18(14)25/h1-11,28H,12-20H2;1-11,25H,12-19H2;1,3-4,6-9,22,25H,2,5,10-16H2;1-4,7,14-15,23H,5-6,8-13,16-17H2;2-8H,9-18H2,1H3;1-7,21H,8-16H2;2-4,7,14,17H,5-6,8-9,20H2,1H3,(H,22,24,25)/t;;22?,25-;;27-;;/m..0.0../s1.
What are the key properties of 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione?
3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione has a molecular weight of 3289.72 g/mol, XLogP of 22.36, 40 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(2-amino-3-methyl-2H-pyrrol-5-yl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;4-[7-[[4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;2-(2,4-dioxocyclohexyl)-4-[[4-(thiomorpholin-4-ylmethyl)phenyl]methoxy]isoindole-1,3-dione;(4S)-4-methyl-4-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[7-[[6-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]cyclohexane-1,3-dione;4-[3-oxo-7-[[4-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]cyclohexane-1,3-dione is sourced from PubChem (CID 158012837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).