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

C36H39N7O6 — CID 166593140

IUPAC3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cn[nH]c23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3)C2
InChIInChI=1S/C36H39N7O6/c1-40-17-26(32-25(34(40)46)15-37-39-32)22-12-29(48-2)27(30(13-22)49-3)18-41-10-8-36(9-11-41)19-42(20-36)23-5-4-21-16-43(35(47)24(21)14-23)28-6-7-31(44)38-33(28)45/h4-5,12-15,17,28H,6-11,16,18-20H2,1-3H3,(H,37,39)(H,38,44,45)
InChIKeyGYAWUUXFPHDZDB-UHFFFAOYSA-N
MW665.75 g/mol
LogP2.81
Rot. Bonds7

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

3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166593140) has the molecular formula C36H39N7O6 and a molecular weight of 665.75 g/mol. Its IUPAC name is 3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-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-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166593140
Molecular FormulaC36H39N7O6
Molecular Weight665.75 g/mol
Exact Mass665.30
IUPAC Name3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1cc(-c2cn(C)c(=O)c3cn[nH]c23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3)C2
InChIInChI=1S/C36H39N7O6/c1-40-17-26(32-25(34(40)46)15-37-39-32)22-12-29(48-2)27(30(13-22)49-3)18-41-10-8-36(9-11-41)19-42(20-36)23-5-4-21-16-43(35(47)24(21)14-23)28-6-7-31(44)38-33(28)45/h4-5,12-15,17,28H,6-11,16,18-20H2,1-3H3,(H,37,39)(H,38,44,45)
InChIKeyGYAWUUXFPHDZDB-UHFFFAOYSA-N
XLogP2.81
TPSA142.10 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-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-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166593140) is 3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-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-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-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-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3cn[nH]c23)cc(OC)c1CN1CCC2(CC1)CN(c1ccc3c(c1)C(=O)N(C1CCC(=O)NC1=O)C3)C2.
What is the InChIKey of 3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GYAWUUXFPHDZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N7O6/c1-40-17-26(32-25(34(40)46)15-37-39-32)22-12-29(48-2)27(30(13-22)49-3)18-41-10-8-36(9-11-41)19-42(20-36)23-5-4-21-16-43(35(47)24(21)14-23)28-6-7-31(44)38-33(28)45/h4-5,12-15,17,28H,6-11,16,18-20H2,1-3H3,(H,37,39)(H,38,44,45).
What are the key properties of 3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-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 665.75 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[7-[[2,6-dimethoxy-4-(5-methyl-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-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 166593140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).