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

C42H39F5N8O7 — CID 175664381

IUPACN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5(F)F)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C42H39F5N8O7/c1-62-32-17-29-22(15-30(32)49-35(57)28-3-2-4-33(48-28)42(45,46)47)20-54(51-29)24-18-40(19-24)10-13-52(14-11-40)39(61)27-9-12-53(21-41(27,43)44)23-5-6-25-26(16-23)38(60)55(37(25)59)31-7-8-34(56)50-36(31)58/h2-6,15-17,20,24,27,31H,7-14,18-19,21H2,1H3,(H,49,57)(H,50,56,58)
InChIKeyUNPRRQAAFLSXKI-UHFFFAOYSA-N
MW862.81 g/mol
LogP5.22
Rot. Bonds7

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

N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664381) has the molecular formula C42H39F5N8O7 and a molecular weight of 862.81 g/mol. Its IUPAC name is N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-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]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664381
Molecular FormulaC42H39F5N8O7
Molecular Weight862.81 g/mol
Exact Mass862.29
IUPAC NameN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5(F)F)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C42H39F5N8O7/c1-62-32-17-29-22(15-30(32)49-35(57)28-3-2-4-33(48-28)42(45,46)47)20-54(51-29)24-18-40(19-24)10-13-52(14-11-40)39(61)27-9-12-53(21-41(27,43)44)23-5-6-25-26(16-23)38(60)55(37(25)59)31-7-8-34(56)50-36(31)58/h2-6,15-17,20,24,27,31H,7-14,18-19,21H2,1H3,(H,49,57)(H,50,56,58)
InChIKeyUNPRRQAAFLSXKI-UHFFFAOYSA-N
XLogP5.22
TPSA176.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500862.81
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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]-3,3-difluoropiperidine-4-carbonyl]-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-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-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]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664381) is N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-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-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-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]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5(F)F)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is UNPRRQAAFLSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39F5N8O7/c1-62-32-17-29-22(15-30(32)49-35(57)28-3-2-4-33(48-28)42(45,46)47)20-54(51-29)24-18-40(19-24)10-13-52(14-11-40)39(61)27-9-12-53(21-41(27,43)44)23-5-6-25-26(16-23)38(60)55(37(25)59)31-7-8-34(56)50-36(31)58/h2-6,15-17,20,24,27,31H,7-14,18-19,21H2,1H3,(H,49,57)(H,50,56,58).
What are the key properties of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 862.81 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 11 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]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).