4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

C98H86N20O17S2 — CID 158151935

IUPAC4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESCCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C28H21N7OS.C22H17N5O2.C22H24N2O7S.C13H11N3O4.C13H13N3O3/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h2-16H,1H3,(H,32,35)(H2,29,31,33);2-13H,14H2,1H3;6-11,17H,5,12H2,1-4H3,(H,23,25);1-3,8H,4-5,14H2,(H,15,17,18);1-3,10H,4-6,14H2,(H,15,17,18)/t;;17-;;/m..1../s1
InChIKeyFVFHCDLNYPVIND-GYNAYGTNSA-N
MW1880.02 g/mol
LogP12.70
Rot. Bonds21

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (PubChem CID 158151935) has the molecular formula C98H86N20O17S2 and a molecular weight of 1880.02 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.

Molecular Properties

Compound Name4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
PubChem CID158151935
Molecular FormulaC98H86N20O17S2
Molecular Weight1880.02 g/mol
Exact Mass1878.59
IUPAC Name4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
SMILESCCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C28H21N7OS.C22H17N5O2.C22H24N2O7S.C13H11N3O4.C13H13N3O3/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h2-16H,1H3,(H,32,35)(H2,29,31,33);2-13H,14H2,1H3;6-11,17H,5,12H2,1-4H3,(H,23,25);1-3,8H,4-5,14H2,(H,15,17,18);1-3,10H,4-6,14H2,(H,15,17,18)/t;;17-;;/m..1../s1
InChIKeyFVFHCDLNYPVIND-GYNAYGTNSA-N
XLogP12.70
TPSA507.31 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.02
LogP ≤ 512.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-2-methyl-N-[1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine;6,6-dimethyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrol-4-one
CID 172055247
6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 157346538
(3,3-Dimethylmorpholin-4-yl)-[7-methoxy-1-(2-methylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methylpyrrol-2-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-(7-methoxy-8-propan-2-yloxy-1-pyridin-3-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1,3,5-trimethylpyrazol-4-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[8-(2-methylpropyl)-1-thiophen-3-yl-7-(trideuteriomethoxy)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
CID 157859292
6,7-dimethoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-4-amine;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylsulfanyl]quinoline;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;4-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 157978407
N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;methane;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy]quinazoline;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
CID 158054296
Methane;7-methoxy-4-[(6-pyrazin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;7-methoxy-4-[(6-pyrimidin-2-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline;3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;7-methoxy-4-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]quinoline
CID 158583415
N-tert-butyl-7-methoxy-N-methyl-8-(2-methylpropyl)-1-(3-methylthiophen-2-yl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinoline-1-carbonitrile;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrrol-3-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;methyl 3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinoline-1-carboxylate
CID 158852642
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-morpholin-4-ylethanamine;N-ethyl-3-[2-(4-methylphenoxy)ethoxy]-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)aniline;[2-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium;1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 159520518
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;6-fluoro-2-[4-(methylaminomethyl)phenyl]-10-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-9-one;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 159740032
3-N-tert-butyl-7-methoxy-3-N-methyl-1-thiophen-2-yl-8-N-(trideuteriomethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3,8-dicarboxamide;(3,3-dimethylmorpholin-4-yl)-[1-(2-ethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[1-(1H-indazol-7-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(5-methyl-2-propylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone
CID 159963989
N-tert-butyl-7-methoxy-N-methyl-8-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;(3,3-dimethylmorpholin-4-yl)-[1-(2,5-dimethylthiophen-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(4-methoxy-2-methylphenyl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-propan-2-yloxy-1-(1,2,3,6-tetrahydropyridin-4-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-2-yl-N-(trideuteriomethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide
CID 160052154
N-tert-butyl-1-cyclopropylsulfonyl-7-methoxy-N-methyl-8-(2-methylpropyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;(3,3-dimethylmorpholin-4-yl)-[1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[1-(1,5-dimethylpyrazol-4-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;7-methoxy-8-(2-methylpropyl)-N-[2-methyl-1-(trideuteriomethoxy)propan-2-yl]-1-thiophen-2-yl-N-(trideuteriomethyl)-4,5-dihydroimidazo[1,5-a]quinoline-3-carboxamide;[7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-[3-(trideuteriomethoxy)pyrrolidin-1-yl]methanone
CID 160633153

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline (CID 158151935) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline.
What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
The InChIKey is FVFHCDLNYPVIND-GYNAYGTNSA-N. The full InChI is InChI=1S/C28H21N7OS.C22H17N5O2.C22H24N2O7S.C13H11N3O4.C13H13N3O3/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23;1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h2-16H,1H3,(H,32,35)(H2,29,31,33);2-13H,14H2,1H3;6-11,17H,5,12H2,1-4H3,(H,23,25);1-3,8H,4-5,14H2,(H,15,17,18);1-3,10H,4-6,14H2,(H,15,17,18)/t;;17-;;/m..1../s1.
What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline?
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline has a molecular weight of 1880.02 g/mol, XLogP of 12.70, 21 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;N-[4-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine;N-[2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-1,3-dioxoisoindol-4-yl]acetamide;7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline is sourced from PubChem (CID 158151935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).