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

C37H38N6O5 — CID 154672020

IUPAC3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(CN2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4)C3)cc(-c2cn(C)c(=O)c3cnccc23)c1
InChIInChI=1S/C37H38N6O5/c1-40-20-31(28-7-10-38-17-30(28)35(40)46)25-13-23(14-27(15-25)48-2)18-41-11-8-37(9-12-41)21-42(22-37)26-4-3-24-19-43(36(47)29(24)16-26)32-5-6-33(44)39-34(32)45/h3-4,7,10,13-17,20,32H,5-6,8-9,11-12,18-19,21-22H2,1-2H3,(H,39,44,45)
InChIKeyNOQQIPDVSKJXDX-UHFFFAOYSA-N
MW646.75 g/mol
LogP3.47
Rot. Bonds6

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

3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 154672020) has the molecular formula C37H38N6O5 and a molecular weight of 646.75 g/mol. Its IUPAC name is 3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID154672020
Molecular FormulaC37H38N6O5
Molecular Weight646.75 g/mol
Exact Mass646.29
IUPAC Name3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(CN2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4)C3)cc(-c2cn(C)c(=O)c3cnccc23)c1
InChIInChI=1S/C37H38N6O5/c1-40-20-31(28-7-10-38-17-30(28)35(40)46)25-13-23(14-27(15-25)48-2)18-41-11-8-37(9-12-41)21-42(22-37)26-4-3-24-19-43(36(47)29(24)16-26)32-5-6-33(44)39-34(32)45/h3-4,7,10,13-17,20,32H,5-6,8-9,11-12,18-19,21-22H2,1-2H3,(H,39,44,45)
InChIKeyNOQQIPDVSKJXDX-UHFFFAOYSA-N
XLogP3.47
TPSA117.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.75
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-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-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 154672020) is 3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-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-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(CN2CCC3(CC2)CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4)C3)cc(-c2cn(C)c(=O)c3cnccc23)c1.
What is the InChIKey of 3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is NOQQIPDVSKJXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N6O5/c1-40-20-31(28-7-10-38-17-30(28)35(40)46)25-13-23(14-27(15-25)48-2)18-41-11-8-37(9-12-41)21-42(22-37)26-4-3-24-19-43(36(47)29(24)16-26)32-5-6-33(44)39-34(32)45/h3-4,7,10,13-17,20,32H,5-6,8-9,11-12,18-19,21-22H2,1-2H3,(H,39,44,45).
What are the key properties of 3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 646.75 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[7-[[3-methoxy-5-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 154672020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).