4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one

C161H170N26O26S — CID 159389416

IUPAC4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCc6ncccc6C5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc(CN5CCC(C)CC5)no4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)n(C)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ncc(CN6CCOCC6)n5c4)cccc3C2=O)C(=O)N1.O=CO
InChIInChI=1S/C31H28N4O3.C30H28N4O4.C27H29N5O4.C25H30N4O4.C24H29N5O4.C23H24N4O5S.CH2O2/c1-21-10-15-28(30(36)33-21)35-17-26-25(31(35)37)8-5-9-29(26)38-19-23-13-11-22(12-14-23)16-34-18-27(32-20-34)24-6-3-2-4-7-24;1-19-7-12-25(28(35)32-19)34-29(36)23-5-2-6-26(27(23)30(34)37)38-18-21-10-8-20(9-11-21)16-33-15-13-24-22(17-33)4-3-14-31-24;1-18-5-7-23(26(33)29-18)32-16-22-21(27(32)34)3-2-4-24(22)36-17-19-6-8-25-28-13-20(31(25)14-19)15-30-9-11-35-12-10-30;1-16-8-10-28(11-9-16)13-18-12-19(33-27-18)15-32-23-5-3-4-20-21(23)14-29(25(20)31)22-7-6-17(2)26-24(22)30;1-16-6-7-21(23(30)25-16)29-14-20-19(24(29)31)4-3-5-22(20)33-15-17-12-18(27(2)26-17)13-28-8-10-32-11-9-28;1-14-5-6-17(21(28)24-14)27-22(29)16-3-2-4-18(20(16)23(27)30)32-12-19-25-15(13-33-19)11-26-7-9-31-10-8-26;2-1-3/h2-9,11-14,18,20,28H,1,10,15-17,19H2,(H,33,36);2-6,8-11,14,25H,1,7,12-13,15-18H2,(H,32,35);2-4,6,8,13-14,23H,1,5,7,9-12,15-17H2,(H,29,33);3-5,12,16,22H,2,6-11,13-15H2,1H3,(H,26,30);3-5,12,21H,1,6-11,13-15H2,2H3,(H,25,30);2-4,13,17H,1,5-12H2,(H,24,28);1H,(H,2,3)
InChIKeyLLXPKUCOZNIMQO-UHFFFAOYSA-N
MW2917.35 g/mol
LogP17.48
Rot. Bonds37

About 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one

4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one (PubChem CID 159389416) has the molecular formula C161H170N26O26S and a molecular weight of 2917.35 g/mol. Its IUPAC name is 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
PubChem CID159389416
Molecular FormulaC161H170N26O26S
Molecular Weight2917.35 g/mol
Exact Mass2915.25
IUPAC Name4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one
SMILESC=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCc6ncccc6C5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc(CN5CCC(C)CC5)no4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)n(C)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ncc(CN6CCOCC6)n5c4)cccc3C2=O)C(=O)N1.O=CO
InChIInChI=1S/C31H28N4O3.C30H28N4O4.C27H29N5O4.C25H30N4O4.C24H29N5O4.C23H24N4O5S.CH2O2/c1-21-10-15-28(30(36)33-21)35-17-26-25(31(35)37)8-5-9-29(26)38-19-23-13-11-22(12-14-23)16-34-18-27(32-20-34)24-6-3-2-4-7-24;1-19-7-12-25(28(35)32-19)34-29(36)23-5-2-6-26(27(23)30(34)37)38-18-21-10-8-20(9-11-21)16-33-15-13-24-22(17-33)4-3-14-31-24;1-18-5-7-23(26(33)29-18)32-16-22-21(27(32)34)3-2-4-24(22)36-17-19-6-8-25-28-13-20(31(25)14-19)15-30-9-11-35-12-10-30;1-16-8-10-28(11-9-16)13-18-12-19(33-27-18)15-32-23-5-3-4-20-21(23)14-29(25(20)31)22-7-6-17(2)26-24(22)30;1-16-6-7-21(23(30)25-16)29-14-20-19(24(29)31)4-3-5-22(20)33-15-17-12-18(27(2)26-17)13-28-8-10-32-11-9-28;1-14-5-6-17(21(28)24-14)27-22(29)16-3-2-4-18(20(16)23(27)30)32-12-19-25-15(13-33-19)11-26-7-9-31-10-8-26;2-1-3/h2-9,11-14,18,20,28H,1,10,15-17,19H2,(H,33,36);2-6,8-11,14,25H,1,7,12-13,15-18H2,(H,32,35);2-4,6,8,13-14,23H,1,5,7,9-12,15-17H2,(H,29,33);3-5,12,16,22H,2,6-11,13-15H2,1H3,(H,26,30);3-5,12,21H,1,6-11,13-15H2,2H3,(H,25,30);2-4,13,17H,1,5-12H2,(H,24,28);1H,(H,2,3)
InChIKeyLLXPKUCOZNIMQO-UHFFFAOYSA-N
XLogP17.48
TPSA571.92 Ų
H-Bond Donors7
H-Bond Acceptors40
Rotatable Bonds37
Heavy Atoms214
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002917.35
LogP ≤ 517.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one?
The IUPAC name of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one (CID 159389416) is 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one.
What is the SMILES notation for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one?
The canonical SMILES for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one is C=C1CCC(N2C(=O)c3cccc(OCc4ccc(CN5CCc6ncccc6C5)cc4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(OCc4nc(CN5CCOCC5)cs4)c3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc(CN5CCC(C)CC5)no4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc(CN5CCOCC5)n(C)n4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(Cn5cnc(-c6ccccc6)c5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5ncc(CN6CCOCC6)n5c4)cccc3C2=O)C(=O)N1.O=CO.
What is the InChIKey of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one?
The InChIKey is LLXPKUCOZNIMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O3.C30H28N4O4.C27H29N5O4.C25H30N4O4.C24H29N5O4.C23H24N4O5S.CH2O2/c1-21-10-15-28(30(36)33-21)35-17-26-25(31(35)37)8-5-9-29(26)38-19-23-13-11-22(12-14-23)16-34-18-27(32-20-34)24-6-3-2-4-7-24;1-19-7-12-25(28(35)32-19)34-29(36)23-5-2-6-26(27(23)30(34)37)38-18-21-10-8-20(9-11-21)16-33-15-13-24-22(17-33)4-3-14-31-24;1-18-5-7-23(26(33)29-18)32-16-22-21(27(32)34)3-2-4-24(22)36-17-19-6-8-25-28-13-20(31(25)14-19)15-30-9-11-35-12-10-30;1-16-8-10-28(11-9-16)13-18-12-19(33-27-18)15-32-23-5-3-4-20-21(23)14-29(25(20)31)22-7-6-17(2)26-24(22)30;1-16-6-7-21(23(30)25-16)29-14-20-19(24(29)31)4-3-5-22(20)33-15-17-12-18(27(2)26-17)13-28-8-10-32-11-9-28;1-14-5-6-17(21(28)24-14)27-22(29)16-3-2-4-18(20(16)23(27)30)32-12-19-25-15(13-33-19)11-26-7-9-31-10-8-26;2-1-3/h2-9,11-14,18,20,28H,1,10,15-17,19H2,(H,33,36);2-6,8-11,14,25H,1,7,12-13,15-18H2,(H,32,35);2-4,6,8,13-14,23H,1,5,7,9-12,15-17H2,(H,29,33);3-5,12,16,22H,2,6-11,13-15H2,1H3,(H,26,30);3-5,12,21H,1,6-11,13-15H2,2H3,(H,25,30);2-4,13,17H,1,5-12H2,(H,24,28);1H,(H,2,3).
What are the key properties of 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one?
4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one has a molecular weight of 2917.35 g/mol, XLogP of 17.48, 37 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;formic acid;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-3-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazol-5-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methoxy]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 159389416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).