N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine

C15H24N4O2 — CID 112731395

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cnc2c(c1)c(C)nn2C)OCC
InChIInChI=1S/C15H24N4O2/c1-5-20-14(21-6-2)10-16-8-12-7-13-11(3)18-19(4)15(13)17-9-12/h7,9,14,16H,5-6,8,10H2,1-4H3
InChIKeyZJMARSBYPWYQPS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.77
Rot. Bonds8

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine (PubChem CID 112731395) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
PubChem CID112731395
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
SMILESCCOC(CNCc1cnc2c(c1)c(C)nn2C)OCC
InChIInChI=1S/C15H24N4O2/c1-5-20-14(21-6-2)10-16-8-12-7-13-11(3)18-19(4)15(13)17-9-12/h7,9,14,16H,5-6,8,10H2,1-4H3
InChIKeyZJMARSBYPWYQPS-UHFFFAOYSA-N
XLogP1.77
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine 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-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine (CID 112731395) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine is CCOC(CNCc1cnc2c(c1)c(C)nn2C)OCC.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine?
The InChIKey is ZJMARSBYPWYQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-20-14(21-6-2)10-16-8-12-7-13-11(3)18-19(4)15(13)17-9-12/h7,9,14,16H,5-6,8,10H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine has a molecular weight of 292.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine is sourced from PubChem (CID 112731395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).