3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C44H49F2N7O6 — CID 154672342

IUPAC3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(CN2CCC3(CN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)C3)C(F)(F)C2)CC1
InChIInChI=1S/C44H49F2N7O6/c1-49-22-34(32-8-12-47-19-33(32)41(49)56)28-17-37(58-2)35(38(18-28)59-3)23-50-13-9-27(10-14-50)20-51-15-11-43(44(45,46)26-51)24-52(25-43)30-4-5-31-29(16-30)21-53(42(31)57)36-6-7-39(54)48-40(36)55/h4-5,8,12,16-19,22,27,36H,6-7,9-11,13-15,20-21,23-26H2,1-3H3,(H,48,54,55)
InChIKeyVWCKVKIJTKJBGS-UHFFFAOYSA-N
MW809.92 g/mol
LogP4.44
Rot. Bonds9

About 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 154672342) has the molecular formula C44H49F2N7O6 and a molecular weight of 809.92 g/mol. Its IUPAC name is 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID154672342
Molecular FormulaC44H49F2N7O6
Molecular Weight809.92 g/mol
Exact Mass809.37
IUPAC Name3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(CN2CCC3(CN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)C3)C(F)(F)C2)CC1
InChIInChI=1S/C44H49F2N7O6/c1-49-22-34(32-8-12-47-19-33(32)41(49)56)28-17-37(58-2)35(38(18-28)59-3)23-50-13-9-27(10-14-50)20-51-15-11-43(44(45,46)26-51)24-52(25-43)30-4-5-31-29(16-30)21-53(42(31)57)36-6-7-39(54)48-40(36)55/h4-5,8,12,16-19,22,27,36H,6-7,9-11,13-15,20-21,23-26H2,1-3H3,(H,48,54,55)
InChIKeyVWCKVKIJTKJBGS-UHFFFAOYSA-N
XLogP4.44
TPSA129.55 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.92
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 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 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 154672342) is 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cnccc23)cc(OC)c1CN1CCC(CN2CCC3(CN(c4ccc5c(c4)CN(C4CCC(=O)NC4=O)C5=O)C3)C(F)(F)C2)CC1.
What is the InChIKey of 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is VWCKVKIJTKJBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49F2N7O6/c1-49-22-34(32-8-12-47-19-33(32)41(49)56)28-17-37(58-2)35(38(18-28)59-3)23-50-13-9-27(10-14-50)20-51-15-11-43(44(45,46)26-51)24-52(25-43)30-4-5-31-29(16-30)21-53(42(31)57)36-6-7-39(54)48-40(36)55/h4-5,8,12,16-19,22,27,36H,6-7,9-11,13-15,20-21,23-26H2,1-3H3,(H,48,54,55).
What are the key properties of 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 809.92 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[7-[[1-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperidin-4-yl]methyl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 154672342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).