4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione

C139H166N30O20 — CID 158352843

IUPAC4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)CC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCCC)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C28H32N6O4.3C28H34N6O4.C27H32N6O4/c1-17-8-9-23(25(35)31-17)34-27(37)21-6-3-7-22(24(21)28(34)38)29-14-18-15-30-33(16-18)20-10-12-32(13-11-20)26(36)19-4-2-5-19;1-17(2)13-24(35)32-11-9-20(10-12-32)33-16-19(15-30-33)14-29-22-6-4-5-21-25(22)28(38)34(27(21)37)23-8-7-18(3)31-26(23)36;1-4-17(2)26(36)32-12-10-20(11-13-32)33-16-19(15-30-33)14-29-22-7-5-6-21-24(22)28(38)34(27(21)37)23-9-8-18(3)31-25(23)35;1-3-4-8-24(35)32-13-11-20(12-14-32)33-17-19(16-30-33)15-29-22-7-5-6-21-25(22)28(38)34(27(21)37)23-10-9-18(2)31-26(23)36;1-3-5-23(34)31-12-10-19(11-13-31)32-16-18(15-29-32)14-28-21-7-4-6-20-24(21)27(37)33(26(20)36)22-9-8-17(2)30-25(22)35/h3,6-7,15-16,19-20,23,29H,1-2,4-5,8-14H2,(H,31,35);4-6,15-17,20,23,29H,3,7-14H2,1-2H3,(H,31,36);5-7,15-17,20,23,29H,3-4,8-14H2,1-2H3,(H,31,35);5-7,16-17,20,23,29H,2-4,8-15H2,1H3,(H,31,36);4,6-7,15-16,19,22,28H,2-3,5,8-14H2,1H3,(H,30,35)
InChIKeyGSNIAWQYUCYYEE-UHFFFAOYSA-N
MW2577.05 g/mol
LogP15.12
Rot. Bonds35

About 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 158352843) has the molecular formula C139H166N30O20 and a molecular weight of 2577.05 g/mol. Its IUPAC name is 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
PubChem CID158352843
Molecular FormulaC139H166N30O20
Molecular Weight2577.05 g/mol
Exact Mass2575.29
IUPAC Name4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
SMILESC=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)CC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCCC)CC5)c4)c3C2=O)C(=O)N1
InChIInChI=1S/C28H32N6O4.3C28H34N6O4.C27H32N6O4/c1-17-8-9-23(25(35)31-17)34-27(37)21-6-3-7-22(24(21)28(34)38)29-14-18-15-30-33(16-18)20-10-12-32(13-11-20)26(36)19-4-2-5-19;1-17(2)13-24(35)32-11-9-20(10-12-32)33-16-19(15-30-33)14-29-22-6-4-5-21-25(22)28(38)34(27(21)37)23-8-7-18(3)31-26(23)36;1-4-17(2)26(36)32-12-10-20(11-13-32)33-16-19(15-30-33)14-29-22-7-5-6-21-24(22)28(38)34(27(21)37)23-9-8-18(3)31-25(23)35;1-3-4-8-24(35)32-13-11-20(12-14-32)33-17-19(16-30-33)15-29-22-7-5-6-21-25(22)28(38)34(27(21)37)23-10-9-18(2)31-26(23)36;1-3-5-23(34)31-12-10-19(11-13-31)32-16-18(15-29-32)14-28-21-7-4-6-20-24(21)27(37)33(26(20)36)22-9-8-17(2)30-25(22)35/h3,6-7,15-16,19-20,23,29H,1-2,4-5,8-14H2,(H,31,35);4-6,15-17,20,23,29H,3,7-14H2,1-2H3,(H,31,36);5-7,15-17,20,23,29H,3-4,8-14H2,1-2H3,(H,31,35);5-7,16-17,20,23,29H,2-4,8-15H2,1H3,(H,31,36);4,6-7,15-16,19,22,28H,2-3,5,8-14H2,1H3,(H,30,35)
InChIKeyGSNIAWQYUCYYEE-UHFFFAOYSA-N
XLogP15.12
TPSA583.20 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds35
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002577.05
LogP ≤ 515.12
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione with MolForge

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Related Compounds

5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[5,6-dimethyl-3-(trifluoromethyl)indazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157314839
CID 157420550
CID 157420550
4-[[1-[1-(3,3-Difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclopentanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 157518929
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157579703
N-tert-butyl-N-methyl-4-[4-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]ethyl]pyrazol-1-yl]piperidine-1-carboxamide;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1-pyridin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(3,3,3-trifluoro-2,2-dimethylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 157809409
2-(2,6-Dioxopiperidin-3-yl)-4-[(1-piperidin-4-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2,2,2-trifluoroethyl carbonochloridate;2,2,2-trifluoroethyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxylate;hydrochloride
CID 157817973
4-[[1-[4-(Cyclohexylmethyl)cyclohexyl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 157944531
4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 158024102
4-[[1-[1-(2,2-Dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclopentanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 158498436
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl N-aminocarbamate;tert-butyl 3,3-difluoro-4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate;tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;tert-butyl 4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;methanetricarbaldehyde
CID 158520846
4-[[1-[1-(3,3-Difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 158752867
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158996701

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 158352843) is 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)CC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCC)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CCCC)CC5)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The InChIKey is GSNIAWQYUCYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4.3C28H34N6O4.C27H32N6O4/c1-17-8-9-23(25(35)31-17)34-27(37)21-6-3-7-22(24(21)28(34)38)29-14-18-15-30-33(16-18)20-10-12-32(13-11-20)26(36)19-4-2-5-19;1-17(2)13-24(35)32-11-9-20(10-12-32)33-16-19(15-30-33)14-29-22-6-4-5-21-25(22)28(38)34(27(21)37)23-8-7-18(3)31-26(23)36;1-4-17(2)26(36)32-12-10-20(11-13-32)33-16-19(15-30-33)14-29-22-7-5-6-21-24(22)28(38)34(27(21)37)23-9-8-18(3)31-25(23)35;1-3-4-8-24(35)32-13-11-20(12-14-32)33-17-19(16-30-33)15-29-22-7-5-6-21-25(22)28(38)34(27(21)37)23-10-9-18(2)31-26(23)36;1-3-5-23(34)31-12-10-19(11-13-31)32-16-18(15-29-32)14-28-21-7-4-6-20-24(21)27(37)33(26(20)36)22-9-8-17(2)30-25(22)35/h3,6-7,15-16,19-20,23,29H,1-2,4-5,8-14H2,(H,31,35);4-6,15-17,20,23,29H,3,7-14H2,1-2H3,(H,31,36);5-7,15-17,20,23,29H,3-4,8-14H2,1-2H3,(H,31,35);5-7,16-17,20,23,29H,2-4,8-15H2,1H3,(H,31,36);4,6-7,15-16,19,22,28H,2-3,5,8-14H2,1H3,(H,30,35).
What are the key properties of 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 2577.05 g/mol, XLogP of 15.12, 35 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-butanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-pentanoylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 158352843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).