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

C42H41F3N8O7 — CID 175664369

IUPACN-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCC(C(=O)N5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C42H41F3N8O7/c1-60-33-19-30-24(17-31(33)47-36(55)29-3-2-4-34(46-29)42(43,44)45)22-52(49-30)26-20-41(21-26)11-9-23(10-12-41)38(57)51-15-13-50(14-16-51)25-5-6-27-28(18-25)40(59)53(39(27)58)32-7-8-35(54)48-37(32)56/h2-6,17-19,22-23,26,32H,7-16,20-21H2,1H3,(H,47,55)(H,48,54,56)
InChIKeyDJZAWAJEMOCSQH-UHFFFAOYSA-N
MW826.83 g/mol
LogP4.97
Rot. Bonds7

About N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]spiro[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]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664369) has the molecular formula C42H41F3N8O7 and a molecular weight of 826.83 g/mol. Its IUPAC name is N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]spiro[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]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664369
Molecular FormulaC42H41F3N8O7
Molecular Weight826.83 g/mol
Exact Mass826.31
IUPAC NameN-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCC(C(=O)N5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C42H41F3N8O7/c1-60-33-19-30-24(17-31(33)47-36(55)29-3-2-4-34(46-29)42(43,44)45)22-52(49-30)26-20-41(21-26)11-9-23(10-12-41)38(57)51-15-13-50(14-16-51)25-5-6-27-28(18-25)40(59)53(39(27)58)32-7-8-35(54)48-37(32)56/h2-6,17-19,22-23,26,32H,7-16,20-21H2,1H3,(H,47,55)(H,48,54,56)
InChIKeyDJZAWAJEMOCSQH-UHFFFAOYSA-N
XLogP4.97
TPSA176.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.83
LogP ≤ 54.97
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]piperazine-1-carbonyl]spiro[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]piperazine-1-carbonyl]spiro[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]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664369) is N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]spiro[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]piperazine-1-carbonyl]spiro[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]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CC4(CCC(C(=O)N5CCN(c6ccc7c(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]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DJZAWAJEMOCSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41F3N8O7/c1-60-33-19-30-24(17-31(33)47-36(55)29-3-2-4-34(46-29)42(43,44)45)22-52(49-30)26-20-41(21-26)11-9-23(10-12-41)38(57)51-15-13-50(14-16-51)25-5-6-27-28(18-25)40(59)53(39(27)58)32-7-8-35(54)48-37(32)56/h2-6,17-19,22-23,26,32H,7-16,20-21H2,1H3,(H,47,55)(H,48,54,56).
What are the key properties of N-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carbonyl]spiro[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]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 826.83 g/mol, XLogP of 4.97, 7 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]piperazine-1-carbonyl]spiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).