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

C44H43F3N10O6 — CID 175664378

IUPACN-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(c5cnn(C6CCN(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/C44H43F3N10O6/c1-63-36-19-33-25(17-34(36)50-39(59)32-3-2-4-37(49-32)44(45,46)47)23-56(52-33)28-20-43(21-28)11-15-54(16-12-43)29-22-48-55(24-29)26-9-13-53(14-10-26)27-5-6-30-31(18-27)42(62)57(41(30)61)35-7-8-38(58)51-40(35)60/h2-6,17-19,22-24,26,28,35H,7-16,20-21H2,1H3,(H,50,59)(H,51,58,60)
InChIKeyUSVZVKPDSROYNA-UHFFFAOYSA-N
MW864.89 g/mol
LogP5.77
Rot. Bonds8

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

N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664378) has the molecular formula C44H43F3N10O6 and a molecular weight of 864.89 g/mol. Its IUPAC name is N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664378
Molecular FormulaC44H43F3N10O6
Molecular Weight864.89 g/mol
Exact Mass864.33
IUPAC NameN-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(c5cnn(C6CCN(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/C44H43F3N10O6/c1-63-36-19-33-25(17-34(36)50-39(59)32-3-2-4-37(49-32)44(45,46)47)23-56(52-33)28-20-43(21-28)11-15-54(16-12-43)29-22-48-55(24-29)26-9-13-53(14-10-26)27-5-6-30-31(18-27)42(62)57(41(30)61)35-7-8-38(58)51-40(35)60/h2-6,17-19,22-24,26,28,35H,7-16,20-21H2,1H3,(H,50,59)(H,51,58,60)
InChIKeyUSVZVKPDSROYNA-UHFFFAOYSA-N
XLogP5.77
TPSA176.89 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500864.89
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-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-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664378) is N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-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-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CC4(CCN(c5cnn(C6CCN(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-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is USVZVKPDSROYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43F3N10O6/c1-63-36-19-33-25(17-34(36)50-39(59)32-3-2-4-37(49-32)44(45,46)47)23-56(52-33)28-20-43(21-28)11-15-54(16-12-43)29-22-48-55(24-29)26-9-13-53(14-10-26)27-5-6-30-31(18-27)42(62)57(41(30)61)35-7-8-38(58)51-40(35)60/h2-6,17-19,22-24,26,28,35H,7-16,20-21H2,1H3,(H,50,59)(H,51,58,60).
What are the key properties of N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 864.89 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyrazol-4-yl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).