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

C39H52N8O5 — CID 156899077

IUPAC10-[[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
SMILESCCC(CC)c1cc(N[C@@H]2CC[C@@H](NC(=O)CCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)n2nccc2n1
InChIInChI=1S/C39H52N8O5/c1-3-25(4-2)30-24-33(47-32(44-30)20-22-41-47)42-26-16-17-27(23-26)43-34(48)15-10-8-6-5-7-9-11-21-40-29-14-12-13-28-36(29)39(52)46(38(28)51)31-18-19-35(49)45-37(31)50/h12-14,20,22,24-27,31,40,42H,3-11,15-19,21,23H2,1-2H3,(H,43,48)(H,45,49,50)/t26-,27-,31?/m1/s1
InChIKeyHXOOAJPVZSPBGY-KRYSULRRSA-N
MW712.90 g/mol
LogP5.72
Rot. Bonds18

About 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

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 (PubChem CID 156899077) has the molecular formula C39H52N8O5 and a molecular weight of 712.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[[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
PubChem CID156899077
Molecular FormulaC39H52N8O5
Molecular Weight712.90 g/mol
Exact Mass712.41
IUPAC Name10-[[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
SMILESCCC(CC)c1cc(N[C@@H]2CC[C@@H](NC(=O)CCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)n2nccc2n1
InChIInChI=1S/C39H52N8O5/c1-3-25(4-2)30-24-33(47-32(44-30)20-22-41-47)42-26-16-17-27(23-26)43-34(48)15-10-8-6-5-7-9-11-21-40-29-14-12-13-28-36(29)39(52)46(38(28)51)31-18-19-35(49)45-37(31)50/h12-14,20,22,24-27,31,40,42H,3-11,15-19,21,23H2,1-2H3,(H,43,48)(H,45,49,50)/t26-,27-,31?/m1/s1
InChIKeyHXOOAJPVZSPBGY-KRYSULRRSA-N
XLogP5.72
TPSA166.90 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 55.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[2-[4-[2-[[(1S,3S)-3-[(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]amino]ethyl]piperazin-1-yl]ethylamino]isoindole-1,3-dione
CID 163291616
4-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3R)-3-[(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]butanamide
CID 166807891
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
11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[(3,4,5-trimethylphenyl)methyl]undecanamide
CID 167088482
tert-butyl N-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]hexyl]carbamate
CID 163320884
2-(2,6-dioxopiperidin-3-yl)-4-[[8-[(3S)-3-methylmorpholin-4-yl]-8-oxooctyl]amino]isoindole-1,3-dione
CID 166426985
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 4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperazine-1-carboxylate
CID 177044180
tert-butyl 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate
CID 146410711
5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-5-oxopentanoic acid
CID 156828353

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC)c1cc(N[C@@H]2CC[C@@H](NC(=O)CCCCCCCCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)n2nccc2n1.
What is the InChIKey of 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?
The InChIKey is HXOOAJPVZSPBGY-KRYSULRRSA-N. The full InChI is InChI=1S/C39H52N8O5/c1-3-25(4-2)30-24-33(47-32(44-30)20-22-41-47)42-26-16-17-27(23-26)43-34(48)15-10-8-6-5-7-9-11-21-40-29-14-12-13-28-36(29)39(52)46(38(28)51)31-18-19-35(49)45-37(31)50/h12-14,20,22,24-27,31,40,42H,3-11,15-19,21,23H2,1-2H3,(H,43,48)(H,45,49,50)/t26-,27-,31?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 712.90 g/mol, XLogP of 5.72, 18 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156899077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).