4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride

C64H88Cl2N16O16S2 — CID 158660798

IUPAC4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride
SMILESCN1CCC(O)CC1.CN1CCC(OS(C)(=O)=O)CC1.CN1CCC(n2cc(C=O)cn2)CC1.CN1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CC1.CS(=O)(=O)Cl.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=Cc1cn[nH]c1
InChIInChI=1S/C23H26N6O4.C13H11N3O4.C10H15N3O.C7H15NO3S.C6H13NO.C4H4N2O.CH3ClO2S.ClH/c1-27-9-7-15(8-10-27)28-13-14(12-25-28)11-24-17-4-2-3-16-20(17)23(33)29(22(16)32)18-5-6-19(30)26-21(18)31;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-12-4-2-10(3-5-12)13-7-9(8-14)6-11-13;1-8-5-3-7(4-6-8)11-12(2,9)10;1-7-4-2-6(8)3-5-7;7-3-4-1-5-6-2-4;1-5(2,3)4;/h2-4,12-13,15,18,24H,5-11H2,1H3,(H,26,30,31);1-3,8H,4-5,14H2,(H,15,17,18);6-8,10H,2-5H2,1H3;7H,3-6H2,1-2H3;6,8H,2-5H2,1H3;1-3H,(H,5,6);1H3;1H
InChIKeyHFOWJKJCWVKXOU-UHFFFAOYSA-N
MW1472.54 g/mol
LogP2.75
Rot. Bonds11

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride (PubChem CID 158660798) has the molecular formula C64H88Cl2N16O16S2 and a molecular weight of 1472.54 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride
PubChem CID158660798
Molecular FormulaC64H88Cl2N16O16S2
Molecular Weight1472.54 g/mol
Exact Mass1470.54
IUPAC Name4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride
SMILESCN1CCC(O)CC1.CN1CCC(OS(C)(=O)=O)CC1.CN1CCC(n2cc(C=O)cn2)CC1.CN1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CC1.CS(=O)(=O)Cl.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=Cc1cn[nH]c1
InChIInChI=1S/C23H26N6O4.C13H11N3O4.C10H15N3O.C7H15NO3S.C6H13NO.C4H4N2O.CH3ClO2S.ClH/c1-27-9-7-15(8-10-27)28-13-14(12-25-28)11-24-17-4-2-3-16-20(17)23(33)29(22(16)32)18-5-6-19(30)26-21(18)31;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-12-4-2-10(3-5-12)13-7-9(8-14)6-11-13;1-8-5-3-7(4-6-8)11-12(2,9)10;1-7-4-2-6(8)3-5-7;7-3-4-1-5-6-2-4;1-5(2,3)4;/h2-4,12-13,15,18,24H,5-11H2,1H3,(H,26,30,31);1-3,8H,4-5,14H2,(H,15,17,18);6-8,10H,2-5H2,1H3;7H,3-6H2,1-2H3;6,8H,2-5H2,1H3;1-3H,(H,5,6);1H3;1H
InChIKeyHFOWJKJCWVKXOU-UHFFFAOYSA-N
XLogP2.75
TPSA414.31 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001472.54
LogP ≤ 52.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride?
The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride (CID 158660798) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride.
What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride?
The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride is CN1CCC(O)CC1.CN1CCC(OS(C)(=O)=O)CC1.CN1CCC(n2cc(C=O)cn2)CC1.CN1CCC(n2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)cn2)CC1.CS(=O)(=O)Cl.Cl.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=Cc1cn[nH]c1.
What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride?
The InChIKey is HFOWJKJCWVKXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4.C13H11N3O4.C10H15N3O.C7H15NO3S.C6H13NO.C4H4N2O.CH3ClO2S.ClH/c1-27-9-7-15(8-10-27)28-13-14(12-25-28)11-24-17-4-2-3-16-20(17)23(33)29(22(16)32)18-5-6-19(30)26-21(18)31;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;1-12-4-2-10(3-5-12)13-7-9(8-14)6-11-13;1-8-5-3-7(4-6-8)11-12(2,9)10;1-7-4-2-6(8)3-5-7;7-3-4-1-5-6-2-4;1-5(2,3)4;/h2-4,12-13,15,18,24H,5-11H2,1H3,(H,26,30,31);1-3,8H,4-5,14H2,(H,15,17,18);6-8,10H,2-5H2,1H3;7H,3-6H2,1-2H3;6,8H,2-5H2,1H3;1-3H,(H,5,6);1H3;1H.
What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride?
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride has a molecular weight of 1472.54 g/mol, XLogP of 2.75, 11 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;methanesulfonyl chloride;1-methylpiperidin-4-ol;(1-methylpiperidin-4-yl) methanesulfonate;1-(1-methylpiperidin-4-yl)pyrazole-4-carbaldehyde;1H-pyrazole-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 158660798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).