4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

C121H125ClN26O15 — CID 159012441

About 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione

4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 159012441) has the molecular formula C121H125ClN26O15 and a molecular weight of 2218.95 g/mol. Its IUPAC name is 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 159012441
• Molecular Formula: C121H125ClN26O15
• Molecular Weight: 2218.95 g/mol
• Exact Mass: 2216.95
• IUPAC Name: 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C(C)(C)C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CN(C)c6ccccc65)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn([C@@H](C)CC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn([C@@H]5CCc6cc(Cl)ccc65)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C27H24ClN5O3.C27H26N6O3.C23H25N5O3.2C22H25N5O3/c1-15-5-9-23(25(34)31-15)33-26(35)20-3-2-4-21(24(20)27(33)36)29-12-16-13-30-32(14-16)22-10-6-17-11-18(28)7-8-19(17)22;1-16-10-11-22(25(34)30-16)33-26(35)19-7-5-8-20(24(19)27(33)36)28-12-17-13-29-32(14-17)23-15-31(2)21-9-4-3-6-18(21)23;1-14-9-10-19(21(29)26-14)28-22(30)17-7-4-8-18(20(17)23(28)31)24-11-15-12-25-27(13-15)16-5-2-3-6-16;1-13-8-9-17(19(28)25-13)27-20(29)15-6-5-7-16(18(15)21(27)30)23-10-14-11-24-26(12-14)22(2,3)4;1-4-14(3)26-12-15(11-24-26)10-23-17-7-5-6-16-19(17)22(30)27(21(16)29)18-9-8-13(2)25-20(18)28/h2-4,7-8,11,13-14,22-23,29H,1,5-6,9-10,12H2,(H,31,34);3-9,13-14,22-23,28H,1,10-12,15H2,2H3,(H,30,34);4,7-8,12-13,16,19,24H,1-3,5-6,9-11H2,(H,26,29);5-7,11-12,17,23H,1,8-10H2,2-4H3,(H,25,28);5-7,11-12,14,18,23H,2,4,8-10H2,1,3H3,(H,25,28)/t22-,23?;;;;14-,18?/m1...0/s1
• InChIKey: JSQXGJNVXCGOGO-FTWOFKNUSA-N
• XLogP: 15.49
• TPSA: 484.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2218.95
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione (CID 159012441) is 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C(C)(C)C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CN(C)c6ccccc65)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn([C@@H](C)CC)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn([C@@H]5CCc6cc(Cl)ccc65)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is JSQXGJNVXCGOGO-FTWOFKNUSA-N. The full InChI is InChI=1S/C27H24ClN5O3.C27H26N6O3.C23H25N5O3.2C22H25N5O3/c1-15-5-9-23(25(34)31-15)33-26(35)20-3-2-4-21(24(20)27(33)36)29-12-16-13-30-32(14-16)22-10-6-17-11-18(28)7-8-19(17)22;1-16-10-11-22(25(34)30-16)33-26(35)19-7-5-8-20(24(19)27(33)36)28-12-17-13-29-32(14-17)23-15-31(2)21-9-4-3-6-18(21)23;1-14-9-10-19(21(29)26-14)28-22(30)17-7-4-8-18(20(17)23(28)31)24-11-15-12-25-27(13-15)16-5-2-3-6-16;1-13-8-9-17(19(28)25-13)27-20(29)15-6-5-7-16(18(15)21(27)30)23-10-14-11-24-26(12-14)22(2,3)4;1-4-14(3)26-12-15(11-24-26)10-23-17-7-5-6-16-19(17)22(30)27(21(16)29)18-9-8-13(2)25-20(18)28/h2-4,7-8,11,13-14,22-23,29H,1,5-6,9-10,12H2,(H,31,34);3-9,13-14,22-23,28H,1,10-12,15H2,2H3,(H,30,34);4,7-8,12-13,16,19,24H,1-3,5-6,9-11H2,(H,26,29);5-7,11-12,17,23H,1,8-10H2,2-4H3,(H,25,28);5-7,11-12,14,18,23H,2,4,8-10H2,1,3H3,(H,25,28)/t22-,23?;;;;14-,18?/m1...0/s1.

What are the key properties of 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione?

4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 2218.95 g/mol, XLogP of 15.49, 25 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[(2S)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-(1-methyl-2,3-dihydroindol-3-yl)pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 159012441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).