2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine

C15H23N4O+ — CID 57469281

IUPAC2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
SMILESC[N+]1(CCOc2nn3ccccc3c2N)CCCCC1
InChIInChI=1S/C15H23N4O/c1-19(9-5-2-6-10-19)11-12-20-15-14(16)13-7-3-4-8-18(13)17-15/h3-4,7-8H,2,5-6,9-12,16H2,1H3/q+1
InChIKeyALEHWURVHJMJMT-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.93
Rot. Bonds4

About 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine

2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine (PubChem CID 57469281) has the molecular formula C15H23N4O+ and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
PubChem CID57469281
Molecular FormulaC15H23N4O+
Molecular Weight275.38 g/mol
Exact Mass275.19
IUPAC Name2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine
SMILESC[N+]1(CCOc2nn3ccccc3c2N)CCCCC1
InChIInChI=1S/C15H23N4O/c1-19(9-5-2-6-10-19)11-12-20-15-14(16)13-7-3-4-8-18(13)17-15/h3-4,7-8H,2,5-6,9-12,16H2,1H3/q+1
InChIKeyALEHWURVHJMJMT-UHFFFAOYSA-N
XLogP1.93
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine 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 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?
The IUPAC name of 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine (CID 57469281) is 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine.
What is the SMILES notation for 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?
The canonical SMILES for 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine is C[N+]1(CCOc2nn3ccccc3c2N)CCCCC1.
What is the InChIKey of 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?
The InChIKey is ALEHWURVHJMJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N4O/c1-19(9-5-2-6-10-19)11-12-20-15-14(16)13-7-3-4-8-18(13)17-15/h3-4,7-8H,2,5-6,9-12,16H2,1H3/q+1.
What are the key properties of 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine?
2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine has a molecular weight of 275.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-amine is sourced from PubChem (CID 57469281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).