8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide

C36H48N8O5 — CID 156899103

IUPAC8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide
SMILESCCCC1=C/C(=N\[C@@H]2CCC(NC(=O)CCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N2C(=CCN2C)N1
InChIInChI=1S/C36H48N8O5/c1-3-10-23-22-30(44-29(38-23)18-20-42(44)2)39-24-14-15-25(21-24)40-31(45)13-7-5-4-6-8-19-37-27-12-9-11-26-33(27)36(49)43(35(26)48)28-16-17-32(46)41-34(28)47/h9,11-12,18,22,24-25,28,37-38H,3-8,10,13-17,19-21H2,1-2H3,(H,40,45)(H,41,46,47)/b39-30+/t24-,25?,28?/m1/s1
InChIKeyFUNJVAMERRLKPW-GTMVKAJDSA-N
MW672.83 g/mol
LogP3.57
Rot. Bonds14

About 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide

8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide (PubChem CID 156899103) has the molecular formula C36H48N8O5 and a molecular weight of 672.83 g/mol. Its IUPAC name is 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide.

Molecular Properties

Compound Name8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide
PubChem CID156899103
Molecular FormulaC36H48N8O5
Molecular Weight672.83 g/mol
Exact Mass672.37
IUPAC Name8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide
SMILESCCCC1=C/C(=N\[C@@H]2CCC(NC(=O)CCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N2C(=CCN2C)N1
InChIInChI=1S/C36H48N8O5/c1-3-10-23-22-30(44-29(38-23)18-20-42(44)2)39-24-14-15-25(21-24)40-31(45)13-7-5-4-6-8-19-37-27-12-9-11-26-33(27)36(49)43(35(26)48)28-16-17-32(46)41-34(28)47/h9,11-12,18,22,24-25,28,37-38H,3-8,10,13-17,19-21H2,1-2H3,(H,40,45)(H,41,46,47)/b39-30+/t24-,25?,28?/m1/s1
InChIKeyFUNJVAMERRLKPW-GTMVKAJDSA-N
XLogP3.57
TPSA155.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.83
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-(6-oxoheptylamino)isoindole-1,3-dione;ethane
CID 170704031
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate
CID 146410711
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(1R,3R)-3-[(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]decanamide
CID 156899077
(2,5-dioxopyrrolidin-1-yl) 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate
CID 175547456
11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide
CID 167088482
6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoic acid
CID 154675498
N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-propan-2-yloxyacetamide
CID 134511290
3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]-N-methylpropanamide
CID 175767467

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide?
The IUPAC name of 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide (CID 156899103) is 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide.
What is the SMILES notation for 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide?
The canonical SMILES for 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide is CCCC1=C/C(=N\[C@@H]2CCC(NC(=O)CCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N2C(=CCN2C)N1.
What is the InChIKey of 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide?
The InChIKey is FUNJVAMERRLKPW-GTMVKAJDSA-N. The full InChI is InChI=1S/C36H48N8O5/c1-3-10-23-22-30(44-29(38-23)18-20-42(44)2)39-24-14-15-25(21-24)40-31(45)13-7-5-4-6-8-19-37-27-12-9-11-26-33(27)36(49)43(35(26)48)28-16-17-32(46)41-34(28)47/h9,11-12,18,22,24-25,28,37-38H,3-8,10,13-17,19-21H2,1-2H3,(H,40,45)(H,41,46,47)/b39-30+/t24-,25?,28?/m1/s1.
What are the key properties of 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide?
8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide has a molecular weight of 672.83 g/mol, XLogP of 3.57, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(1-methyl-5-propyl-2,4-dihydropyrazolo[1,5-a]pyrimidin-7-ylidene)amino]cyclopentyl]octanamide is sourced from PubChem (CID 156899103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).