4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde

C60H75ClN12O16S2 — CID 158083236

IUPAC4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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)OC1CCCC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCC5)c4)c3C2=O)C(=O)N1.O=Cc1cn[nH]c1.O=Cc1cnn(C2CCCC2)c1.OC1CCCC1
InChIInChI=1S/C22H23N5O4.C13H11N3O4.C9H12N2O.C6H12O3S.C5H10O.C4H4N2O.CH3ClO2S/c28-18-9-8-17(20(29)25-18)27-21(30)15-6-3-7-16(19(15)22(27)31)23-10-13-11-24-26(12-13)14-4-1-2-5-14;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;12-7-8-5-10-11(6-8)9-3-1-2-4-9;1-10(7,8)9-6-4-2-3-5-6;6-5-3-1-2-4-5;7-3-4-1-5-6-2-4;1-5(2,3)4/h3,6-7,11-12,14,17,23H,1-2,4-5,8-10H2,(H,25,28,29);1-3,8H,4-5,14H2,(H,15,17,18);5-7,9H,1-4H2;6H,2-5H2,1H3;5-6H,1-4H2;1-3H,(H,5,6);1H3
InChIKeyFNEZLDDQRUWBEE-UHFFFAOYSA-N
MW1319.91 g/mol
LogP5.73
Rot. Bonds11

About 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde (PubChem CID 158083236) has the molecular formula C60H75ClN12O16S2 and a molecular weight of 1319.91 g/mol. Its IUPAC name is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde
PubChem CID158083236
Molecular FormulaC60H75ClN12O16S2
Molecular Weight1319.91 g/mol
Exact Mass1318.46
IUPAC Name4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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)OC1CCCC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCC5)c4)c3C2=O)C(=O)N1.O=Cc1cn[nH]c1.O=Cc1cnn(C2CCCC2)c1.OC1CCCC1
InChIInChI=1S/C22H23N5O4.C13H11N3O4.C9H12N2O.C6H12O3S.C5H10O.C4H4N2O.CH3ClO2S/c28-18-9-8-17(20(29)25-18)27-21(30)15-6-3-7-16(19(15)22(27)31)23-10-13-11-24-26(12-13)14-4-1-2-5-14;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;12-7-8-5-10-11(6-8)9-3-1-2-4-9;1-10(7,8)9-6-4-2-3-5-6;6-5-3-1-2-4-5;7-3-4-1-5-6-2-4;1-5(2,3)4/h3,6-7,11-12,14,17,23H,1-2,4-5,8-10H2,(H,25,28,29);1-3,8H,4-5,14H2,(H,15,17,18);5-7,9H,1-4H2;6H,2-5H2,1H3;5-6H,1-4H2;1-3H,(H,5,6);1H3
InChIKeyFNEZLDDQRUWBEE-UHFFFAOYSA-N
XLogP5.73
TPSA401.35 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001319.91
LogP ≤ 55.73
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;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde (CID 158083236) is 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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)OC1CCCC1.Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCCC5)c4)c3C2=O)C(=O)N1.O=Cc1cn[nH]c1.O=Cc1cnn(C2CCCC2)c1.OC1CCCC1.
What is the InChIKey of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde?
The InChIKey is FNEZLDDQRUWBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4.C13H11N3O4.C9H12N2O.C6H12O3S.C5H10O.C4H4N2O.CH3ClO2S/c28-18-9-8-17(20(29)25-18)27-21(30)15-6-3-7-16(19(15)22(27)31)23-10-13-11-24-26(12-13)14-4-1-2-5-14;14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18;12-7-8-5-10-11(6-8)9-3-1-2-4-9;1-10(7,8)9-6-4-2-3-5-6;6-5-3-1-2-4-5;7-3-4-1-5-6-2-4;1-5(2,3)4/h3,6-7,11-12,14,17,23H,1-2,4-5,8-10H2,(H,25,28,29);1-3,8H,4-5,14H2,(H,15,17,18);5-7,9H,1-4H2;6H,2-5H2,1H3;5-6H,1-4H2;1-3H,(H,5,6);1H3.
What are the key properties of 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-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;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde has a molecular weight of 1319.91 g/mol, XLogP of 5.73, 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;cyclopentanol;cyclopentyl methanesulfonate;1-cyclopentylpyrazole-4-carbaldehyde;4-[(1-cyclopentylpyrazol-4-yl)methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanesulfonyl chloride;1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 158083236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).