N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C43H42F3N7O8 — CID 175664376

IUPACN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(C1CC3(CCN(C(=O)C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C1)C2=O
InChIInChI=1S/C43H42F3N7O8/c1-61-33-19-28-24(17-31(33)48-36(55)30-3-2-4-34(47-30)43(44,45)46)22-52(39(28)58)26-20-42(21-26)11-15-51(16-12-42)38(57)23-9-13-50(14-10-23)25-5-6-27-29(18-25)41(60)53(40(27)59)32-7-8-35(54)49-37(32)56/h2-6,17-19,23,26,32H,7-16,20-22H2,1H3,(H,48,55)(H,49,54,56)
InChIKeyHPWSMZJJAJLIAZ-UHFFFAOYSA-N
MW841.84 g/mol
LogP4.41
Rot. Bonds7

About N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664376) has the molecular formula C43H42F3N7O8 and a molecular weight of 841.84 g/mol. Its IUPAC name is N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664376
Molecular FormulaC43H42F3N7O8
Molecular Weight841.84 g/mol
Exact Mass841.30
IUPAC NameN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(C1CC3(CCN(C(=O)C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C1)C2=O
InChIInChI=1S/C43H42F3N7O8/c1-61-33-19-28-24(17-31(33)48-36(55)30-3-2-4-34(47-30)43(44,45)46)22-52(39(28)58)26-20-42(21-26)11-15-51(16-12-42)38(57)23-9-13-50(14-10-23)25-5-6-27-29(18-25)41(60)53(40(27)59)32-7-8-35(54)49-37(32)56/h2-6,17-19,23,26,32H,7-16,20-22H2,1H3,(H,48,55)(H,49,54,56)
InChIKeyHPWSMZJJAJLIAZ-UHFFFAOYSA-N
XLogP4.41
TPSA178.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500841.84
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664376) is N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(C1CC3(CCN(C(=O)C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C1)C2=O.
What is the InChIKey of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HPWSMZJJAJLIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42F3N7O8/c1-61-33-19-28-24(17-31(33)48-36(55)30-3-2-4-34(47-30)43(44,45)46)22-52(39(28)58)26-20-42(21-26)11-15-51(16-12-42)38(57)23-9-13-50(14-10-23)25-5-6-27-29(18-25)41(60)53(40(27)59)32-7-8-35(54)49-37(32)56/h2-6,17-19,23,26,32H,7-16,20-22H2,1H3,(H,48,55)(H,49,54,56).
What are the key properties of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 841.84 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxy-1-oxo-3H-isoindol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).