4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde

C64H83ClN12O16S2 — CID 160627846

IUPAC4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde
SMILESCS(=O)(=O)Cl.CS(=O)(=O)OC1CCCCC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCCC5)c4)c3C2=O)C(=O)N1.O=Cc1cn[nH]c1.O=Cc1cnn(C2CCCCC2)c1.OC1CCCCC1
InChIInChI=1S/C23H25N5O4.C13H11N3O4.C10H14N2O.C7H14O3S.C6H12O.C4H4N2O.CH3ClO2S/c29-19-10-9-18(21(30)26-19)28-22(31)16-7-4-8-17(20(16)23(28)32)24-11-14-12-25-27(13-14)15-5-2-1-3-6-15;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;13-8-9-6-11-12(7-9)10-4-2-1-3-5-10;1-11(8,9)10-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;7-3-4-1-5-6-2-4;1-5(2,3)4/h4,7-8,12-13,15,18,24H,1-3,5-6,9-11H2,(H,26,29,30);1-3,8H,4-5,14H2,(H,15,17,18);6-8,10H,1-5H2;7H,2-6H2,1H3;6-7H,1-5H2;1-3H,(H,5,6);1H3
InChIKeyRHNPOGBKPHLMPI-UHFFFAOYSA-N
MW1376.02 g/mol
LogP7.29
Rot. Bonds11

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde

4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde (PubChem CID 160627846) has the molecular formula C64H83ClN12O16S2 and a molecular weight of 1376.02 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde
PubChem CID160627846
Molecular FormulaC64H83ClN12O16S2
Molecular Weight1376.02 g/mol
Exact Mass1374.52
IUPAC Name4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde
SMILESCS(=O)(=O)Cl.CS(=O)(=O)OC1CCCCC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCCC5)c4)c3C2=O)C(=O)N1.O=Cc1cn[nH]c1.O=Cc1cnn(C2CCCCC2)c1.OC1CCCCC1
InChIInChI=1S/C23H25N5O4.C13H11N3O4.C10H14N2O.C7H14O3S.C6H12O.C4H4N2O.CH3ClO2S/c29-19-10-9-18(21(30)26-19)28-22(31)16-7-4-8-17(20(16)23(28)32)24-11-14-12-25-27(13-14)15-5-2-1-3-6-15;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;13-8-9-6-11-12(7-9)10-4-2-1-3-5-10;1-11(8,9)10-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;7-3-4-1-5-6-2-4;1-5(2,3)4/h4,7-8,12-13,15,18,24H,1-3,5-6,9-11H2,(H,26,29,30);1-3,8H,4-5,14H2,(H,15,17,18);6-8,10H,1-5H2;7H,2-6H2,1H3;6-7H,1-5H2;1-3H,(H,5,6);1H3
InChIKeyRHNPOGBKPHLMPI-UHFFFAOYSA-N
XLogP7.29
TPSA401.35 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001376.02
LogP ≤ 57.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

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;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?
The IUPAC name of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde (CID 160627846) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde is CS(=O)(=O)Cl.CS(=O)(=O)OC1CCCCC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCCC5)c4)c3C2=O)C(=O)N1.O=Cc1cn[nH]c1.O=Cc1cnn(C2CCCCC2)c1.OC1CCCCC1.
What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?
The InChIKey is RHNPOGBKPHLMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4.C13H11N3O4.C10H14N2O.C7H14O3S.C6H12O.C4H4N2O.CH3ClO2S/c29-19-10-9-18(21(30)26-19)28-22(31)16-7-4-8-17(20(16)23(28)32)24-11-14-12-25-27(13-14)15-5-2-1-3-6-15;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;13-8-9-6-11-12(7-9)10-4-2-1-3-5-10;1-11(8,9)10-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;7-3-4-1-5-6-2-4;1-5(2,3)4/h4,7-8,12-13,15,18,24H,1-3,5-6,9-11H2,(H,26,29,30);1-3,8H,4-5,14H2,(H,15,17,18);6-8,10H,1-5H2;7H,2-6H2,1H3;6-7H,1-5H2;1-3H,(H,5,6);1H3.
What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde has a molecular weight of 1376.02 g/mol, XLogP of 7.29, 11 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclohexanol;cyclohexyl methanesulfonate;1-cyclohexylpyrazole-4-carbaldehyde;4-[(1-cyclohexylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 160627846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).