N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine

C17H25N3O — CID 71712217

IUPACN-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine
SMILESc1ccn2nc(OCCCCNC3CCCCC3)cc2c1
InChIInChI=1S/C17H25N3O/c1-2-8-15(9-3-1)18-11-5-7-13-21-17-14-16-10-4-6-12-20(16)19-17/h4,6,10,12,14-15,18H,1-3,5,7-9,11,13H2
InChIKeyYQOSJAKICBVWSP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.42
Rot. Bonds7

About N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine

N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine (PubChem CID 71712217) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine.

Molecular Properties

Compound NameN-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine
PubChem CID71712217
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine
SMILESc1ccn2nc(OCCCCNC3CCCCC3)cc2c1
InChIInChI=1S/C17H25N3O/c1-2-8-15(9-3-1)18-11-5-7-13-21-17-14-16-10-4-6-12-20(16)19-17/h4,6,10,12,14-15,18H,1-3,5,7-9,11,13H2
InChIKeyYQOSJAKICBVWSP-UHFFFAOYSA-N
XLogP3.42
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine?
The IUPAC name of N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine (CID 71712217) is N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine.
What is the SMILES notation for N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine?
The canonical SMILES for N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine is c1ccn2nc(OCCCCNC3CCCCC3)cc2c1.
What is the InChIKey of N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine?
The InChIKey is YQOSJAKICBVWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-8-15(9-3-1)18-11-5-7-13-21-17-14-16-10-4-6-12-20(16)19-17/h4,6,10,12,14-15,18H,1-3,5,7-9,11,13H2.
What are the key properties of N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine?
N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine has a molecular weight of 287.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazolo[1,5-a]pyridin-2-yloxybutyl)cyclohexanamine is sourced from PubChem (CID 71712217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).