N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide

C45H48FN9O8 — CID 175664394

IUPACN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5(F)CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C45H48FN9O8/c1-62-36-23-33-27(21-34(36)48-39(57)32-3-2-4-37(47-32)52-17-19-63-20-18-52)26-54(50-33)29-24-44(25-29)9-13-53(14-10-44)43(61)45(46)11-15-51(16-12-45)28-5-6-30-31(22-28)42(60)55(41(30)59)35-7-8-38(56)49-40(35)58/h2-6,21-23,26,29,35H,7-20,24-25H2,1H3,(H,48,57)(H,49,56,58)
InChIKeyHOOUIZLXGCFLHM-UHFFFAOYSA-N
MW861.93 g/mol
LogP3.88
Rot. Bonds8

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

N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 175664394) has the molecular formula C45H48FN9O8 and a molecular weight of 861.93 g/mol. Its IUPAC name is N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
PubChem CID175664394
Molecular FormulaC45H48FN9O8
Molecular Weight861.93 g/mol
Exact Mass861.36
IUPAC NameN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5(F)CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C45H48FN9O8/c1-62-36-23-33-27(21-34(36)48-39(57)32-3-2-4-37(47-32)52-17-19-63-20-18-52)26-54(50-33)29-24-44(25-29)9-13-53(14-10-44)43(61)45(46)11-15-51(16-12-45)28-5-6-30-31(22-28)42(60)55(41(30)59)35-7-8-38(56)49-40(35)58/h2-6,21-23,26,29,35H,7-20,24-25H2,1H3,(H,48,57)(H,49,56,58)
InChIKeyHOOUIZLXGCFLHM-UHFFFAOYSA-N
XLogP3.88
TPSA188.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.93
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide (CID 175664394) is N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide is COc1cc2nn(C3CC4(CCN(C(=O)C5(F)CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is HOOUIZLXGCFLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48FN9O8/c1-62-36-23-33-27(21-34(36)48-39(57)32-3-2-4-37(47-32)52-17-19-63-20-18-52)26-54(50-33)29-24-44(25-29)9-13-53(14-10-44)43(61)45(46)11-15-51(16-12-45)28-5-6-30-31(22-28)42(60)55(41(30)59)35-7-8-38(56)49-40(35)58/h2-6,21-23,26,29,35H,7-20,24-25H2,1H3,(H,48,57)(H,49,56,58).
What are the key properties of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 861.93 g/mol, XLogP of 3.88, 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-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 175664394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).