N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C44H45F3N8O6 — CID 175664370

IUPACN-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C5CC6(CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C44H45F3N8O6/c1-61-35-19-32-25(17-33(35)49-38(57)31-3-2-4-36(48-31)44(45,46)47)24-54(51-32)28-22-43(23-28)11-15-53(16-12-43)27-20-42(21-27)9-13-52(14-10-42)26-5-6-29-30(18-26)41(60)55(40(29)59)34-7-8-37(56)50-39(34)58/h2-6,17-19,24,27-28,34H,7-16,20-23H2,1H3,(H,49,57)(H,50,56,58)
InChIKeyDYWYTKKGWSSILD-UHFFFAOYSA-N
MW838.89 g/mol
LogP5.98
Rot. Bonds7

About N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664370) has the molecular formula C44H45F3N8O6 and a molecular weight of 838.89 g/mol. Its IUPAC name is N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664370
Molecular FormulaC44H45F3N8O6
Molecular Weight838.89 g/mol
Exact Mass838.34
IUPAC NameN-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C5CC6(CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C44H45F3N8O6/c1-61-35-19-32-25(17-33(35)49-38(57)31-3-2-4-36(48-31)44(45,46)47)24-54(51-32)28-22-43(23-28)11-15-53(16-12-43)27-20-42(21-27)9-13-52(14-10-42)26-5-6-29-30(18-26)41(60)55(40(29)59)34-7-8-37(56)50-39(34)58/h2-6,17-19,24,27-28,34H,7-16,20-23H2,1H3,(H,49,57)(H,50,56,58)
InChIKeyDYWYTKKGWSSILD-UHFFFAOYSA-N
XLogP5.98
TPSA159.07 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.89
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-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-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664370) is N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CC4(CCN(C5CC6(CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DYWYTKKGWSSILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45F3N8O6/c1-61-35-19-32-25(17-33(35)49-38(57)31-3-2-4-36(48-31)44(45,46)47)24-54(51-32)28-22-43(23-28)11-15-53(16-12-43)27-20-42(21-27)9-13-52(14-10-42)26-5-6-29-30(18-26)41(60)55(40(29)59)34-7-8-37(56)50-39(34)58/h2-6,17-19,24,27-28,34H,7-16,20-23H2,1H3,(H,49,57)(H,50,56,58).
What are the key properties of N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 838.89 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-7-azaspiro[3.5]nonan-2-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).