2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium

C15H24IN4O+ — CID 163553306

IUPAC2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium
SMILESC[NH+](CCCCCI)CCOc1nn2ccccc2c1N
InChIInChI=1S/C15H23IN4O/c1-19(9-5-2-4-8-16)11-12-21-15-14(17)13-7-3-6-10-20(13)18-15/h3,6-7,10H,2,4-5,8-9,11-12,17H2,1H3/p+1
InChIKeyFKXKXFVVWNLQGI-UHFFFAOYSA-O
MW403.29 g/mol
LogP1.42
Rot. Bonds9

About 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium

2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium (PubChem CID 163553306) has the molecular formula C15H24IN4O+ and a molecular weight of 403.29 g/mol. Its IUPAC name is 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium.

Molecular Properties

Compound Name2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium
PubChem CID163553306
Molecular FormulaC15H24IN4O+
Molecular Weight403.29 g/mol
Exact Mass403.10
IUPAC Name2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium
SMILESC[NH+](CCCCCI)CCOc1nn2ccccc2c1N
InChIInChI=1S/C15H23IN4O/c1-19(9-5-2-4-8-16)11-12-21-15-14(17)13-7-3-6-10-20(13)18-15/h3,6-7,10H,2,4-5,8-9,11-12,17H2,1H3/p+1
InChIKeyFKXKXFVVWNLQGI-UHFFFAOYSA-O
XLogP1.42
TPSA56.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 24936042
2-((3-Aminopyrazolo(1,5-a)pyridin-2-yl)oxy)ethanol hydrochloride (1:1)
CID 66922788
2-(Pyridin-2-ylmethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813483
US11535611, Example 22
CID 142608416
US11535611, Example 23
CID 142608497
US11535611, Example 19
CID 142608500
US11535611, Example 21
CID 154640939
US11535611, Example 24
CID 154640948
US11535611, Example 20
CID 154640950
1-(3,5-Dimethyl-1-propan-2-ylpyrazol-4-yl)-3-(2-ethoxy-3-pyridinyl)urea
CID 53513710
1,3-dimethyl-5-(pyridin-3-yloxy)-1H-pyrazol-4-amine dihydrochloride
CID 47003325
N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
CID 75503263

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium?
The IUPAC name of 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium (CID 163553306) is 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium.
What is the SMILES notation for 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium?
The canonical SMILES for 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium is C[NH+](CCCCCI)CCOc1nn2ccccc2c1N.
What is the InChIKey of 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium?
The InChIKey is FKXKXFVVWNLQGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23IN4O/c1-19(9-5-2-4-8-16)11-12-21-15-14(17)13-7-3-6-10-20(13)18-15/h3,6-7,10H,2,4-5,8-9,11-12,17H2,1H3/p+1.
What are the key properties of 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium?
2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium has a molecular weight of 403.29 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazolo[1,5-a]pyridin-2-yl)oxyethyl-(5-iodopentyl)-methylazanium is sourced from PubChem (CID 163553306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).