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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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).