N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C43H42F3N7O8 — CID 175664377

IUPACN-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5CCC(Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C43H42F3N7O8/c1-60-34-19-31-24(17-32(34)48-37(55)30-3-2-4-35(47-30)43(44,45)46)22-52(50-31)25-20-42(21-25)13-15-51(16-14-42)39(57)23-5-7-26(8-6-23)61-27-9-10-28-29(18-27)41(59)53(40(28)58)33-11-12-36(54)49-38(33)56/h2-4,9-10,17-19,22-23,25-26,33H,5-8,11-16,20-21H2,1H3,(H,48,55)(H,49,54,56)
InChIKeyAOUUAGZXFBMJSK-UHFFFAOYSA-N
MW841.84 g/mol
LogP5.69
Rot. Bonds8

About N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664377) has the molecular formula C43H42F3N7O8 and a molecular weight of 841.84 g/mol. Its IUPAC name is N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664377
Molecular FormulaC43H42F3N7O8
Molecular Weight841.84 g/mol
Exact Mass841.30
IUPAC NameN-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5CCC(Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C43H42F3N7O8/c1-60-34-19-31-24(17-32(34)48-37(55)30-3-2-4-35(47-30)43(44,45)46)22-52(50-31)25-20-42(21-25)13-15-51(16-14-42)39(57)23-5-7-26(8-6-23)61-27-9-10-28-29(18-27)41(59)53(40(28)58)33-11-12-36(54)49-38(33)56/h2-4,9-10,17-19,22-23,25-26,33H,5-8,11-16,20-21H2,1H3,(H,48,55)(H,49,54,56)
InChIKeyAOUUAGZXFBMJSK-UHFFFAOYSA-N
XLogP5.69
TPSA182.13 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.84
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-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-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664377) is N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-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-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CC4(CCN(C(=O)C5CCC(Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AOUUAGZXFBMJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42F3N7O8/c1-60-34-19-31-24(17-32(34)48-37(55)30-3-2-4-35(47-30)43(44,45)46)22-52(50-31)25-20-42(21-25)13-15-51(16-14-42)39(57)23-5-7-26(8-6-23)61-27-9-10-28-29(18-27)41(59)53(40(28)58)33-11-12-36(54)49-38(33)56/h2-4,9-10,17-19,22-23,25-26,33H,5-8,11-16,20-21H2,1H3,(H,48,55)(H,49,54,56).
What are the key properties of N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 841.84 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).