N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide

C26H33N5O5 — CID 156792138

IUPACN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCCCCCOc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cn1
InChIInChI=1S/C26H33N5O5/c1-17(2)31-16-19(14-28-31)24(33)27-11-5-3-4-6-12-36-20-7-8-21-18(13-20)15-30(26(21)35)22-9-10-23(32)29-25(22)34/h7-8,13-14,16-17,22H,3-6,9-12,15H2,1-2H3,(H,27,33)(H,29,32,34)
InChIKeyCULPORPNFQRERI-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.59
Rot. Bonds11

About N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 156792138) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID156792138
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC NameN-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCCCCCOc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cn1
InChIInChI=1S/C26H33N5O5/c1-17(2)31-16-19(14-28-31)24(33)27-11-5-3-4-6-12-36-20-7-8-21-18(13-20)15-30(26(21)35)22-9-10-23(32)29-25(22)34/h7-8,13-14,16-17,22H,3-6,9-12,15H2,1-2H3,(H,27,33)(H,29,32,34)
InChIKeyCULPORPNFQRERI-UHFFFAOYSA-N
XLogP2.59
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-3-methylbutanamide
CID 174200047
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 156792030
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 156792089
tert-butyl N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]heptyl]carbamate
CID 175891825
benzyl N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]carbamate
CID 156512176
5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]pentanoic acid
CID 166425957
ethane;3-[6-[4-(methylamino)butoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2-methylpropyl formate
CID 171072812
3-[6-[6-[(1-cyclohexylpyrazol-4-yl)methylamino]hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792048
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 166910030
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]butanoic acid
CID 166425977
3-[6-[6-(1H-imidazol-2-ylmethylamino)hexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156792169
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836

Frequently Asked Questions

What is the IUPAC name of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 156792138) is N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NCCCCCCOc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cn1.
What is the InChIKey of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CULPORPNFQRERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-17(2)31-16-19(14-28-31)24(33)27-11-5-3-4-6-12-36-20-7-8-21-18(13-20)15-30(26(21)35)22-9-10-23(32)29-25(22)34/h7-8,13-14,16-17,22H,3-6,9-12,15H2,1-2H3,(H,27,33)(H,29,32,34).
What are the key properties of N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 156792138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).