N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine

C17H20N4 — CID 63771201

IUPACN-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc2c(c1)c(C)nn2-c1cccc(C)c1
InChIInChI=1S/C17H20N4/c1-4-18-10-14-9-16-13(3)20-21(17(16)19-11-14)15-7-5-6-12(2)8-15/h5-9,11,18H,4,10H2,1-3H3
InChIKeyGVIIBTWWYBNXEO-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.15
Rot. Bonds4

About N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine

N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine (PubChem CID 63771201) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
PubChem CID63771201
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc2c(c1)c(C)nn2-c1cccc(C)c1
InChIInChI=1S/C17H20N4/c1-4-18-10-14-9-16-13(3)20-21(17(16)19-11-14)15-7-5-6-12(2)8-15/h5-9,11,18H,4,10H2,1-3H3
InChIKeyGVIIBTWWYBNXEO-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine 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-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine (CID 63771201) is N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine is CCNCc1cnc2c(c1)c(C)nn2-c1cccc(C)c1.
What is the InChIKey of N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine?
The InChIKey is GVIIBTWWYBNXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-18-10-14-9-16-13(3)20-21(17(16)19-11-14)15-7-5-6-12(2)8-15/h5-9,11,18H,4,10H2,1-3H3.
What are the key properties of N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine?
N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine has a molecular weight of 280.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methyl]ethanamine is sourced from PubChem (CID 63771201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).