N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine

C19H26N4O — CID 87928133

IUPACN-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine
SMILESCON=CCc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C19H26N4O/c1-13-11-14(2)18(15(3)12-13)23-10-6-7-16-17(8-9-20-24-5)22(4)21-19(16)23/h9,11-12H,6-8,10H2,1-5H3
InChIKeyVZGQZAYIIBXOEH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.60
Rot. Bonds4

About N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine

N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine (PubChem CID 87928133) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine.

Molecular Properties

Compound NameN-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine
PubChem CID87928133
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine
SMILESCON=CCc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C19H26N4O/c1-13-11-14(2)18(15(3)12-13)23-10-6-7-16-17(8-9-20-24-5)22(4)21-19(16)23/h9,11-12H,6-8,10H2,1-5H3
InChIKeyVZGQZAYIIBXOEH-UHFFFAOYSA-N
XLogP3.60
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine 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-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine?
The IUPAC name of N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine (CID 87928133) is N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine.
What is the SMILES notation for N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine?
The canonical SMILES for N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine is CON=CCc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine?
The InChIKey is VZGQZAYIIBXOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-11-14(2)18(15(3)12-13)23-10-6-7-16-17(8-9-20-24-5)22(4)21-19(16)23/h9,11-12H,6-8,10H2,1-5H3.
What are the key properties of N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine?
N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine has a molecular weight of 326.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanimine is sourced from PubChem (CID 87928133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).