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

C44H45F3N8O7 — CID 175664344

IUPACN-[2-[7-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5CCC(CNc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C44H45F3N8O7/c1-62-35-19-32-26(17-33(35)50-38(57)31-3-2-4-36(49-31)44(45,46)47)23-54(52-32)28-20-43(21-28)13-15-53(16-14-43)40(59)25-7-5-24(6-8-25)22-48-27-9-10-29-30(18-27)42(61)55(41(29)60)34-11-12-37(56)51-39(34)58/h2-4,9-10,17-19,23-25,28,34,48H,5-8,11-16,20-22H2,1H3,(H,50,57)(H,51,56,58)
InChIKeyKZFCVPDWMSXOSR-UHFFFAOYSA-N
MW854.89 g/mol
LogP5.97
Rot. Bonds9

About N-[2-[7-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclohexanecarbonyl]-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]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664344) has the molecular formula C44H45F3N8O7 and a molecular weight of 854.89 g/mol. Its IUPAC name is N-[2-[7-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclohexanecarbonyl]-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]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664344
Molecular FormulaC44H45F3N8O7
Molecular Weight854.89 g/mol
Exact Mass854.34
IUPAC NameN-[2-[7-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5CCC(CNc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C44H45F3N8O7/c1-62-35-19-32-26(17-33(35)50-38(57)31-3-2-4-36(49-31)44(45,46)47)23-54(52-32)28-20-43(21-28)13-15-53(16-14-43)40(59)25-7-5-24(6-8-25)22-48-27-9-10-29-30(18-27)42(61)55(41(29)60)34-11-12-37(56)51-39(34)58/h2-4,9-10,17-19,23-25,28,34,48H,5-8,11-16,20-22H2,1H3,(H,50,57)(H,51,56,58)
InChIKeyKZFCVPDWMSXOSR-UHFFFAOYSA-N
XLogP5.97
TPSA184.93 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500854.89
LogP ≤ 55.97
H-Bond Donors ≤ 53
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]amino]methyl]cyclohexanecarbonyl]-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]amino]methyl]cyclohexanecarbonyl]-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]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664344) is N-[2-[7-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclohexanecarbonyl]-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]amino]methyl]cyclohexanecarbonyl]-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]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CC4(CCN(C(=O)C5CCC(CNc6ccc7c(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]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KZFCVPDWMSXOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45F3N8O7/c1-62-35-19-32-26(17-33(35)50-38(57)31-3-2-4-36(49-31)44(45,46)47)23-54(52-32)28-20-43(21-28)13-15-53(16-14-43)40(59)25-7-5-24(6-8-25)22-48-27-9-10-29-30(18-27)42(61)55(41(29)60)34-11-12-37(56)51-39(34)58/h2-4,9-10,17-19,23-25,28,34,48H,5-8,11-16,20-22H2,1H3,(H,50,57)(H,51,56,58).
What are the key properties of N-[2-[7-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclohexanecarbonyl]-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]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 854.89 g/mol, XLogP of 5.97, 9 rotatable bonds, 3 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]amino]methyl]cyclohexanecarbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).