2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine

C17H25N3O — CID 71712215

IUPAC2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine
SMILESc1ccn2nc(OCCCCN3CCCCCC3)cc2c1
InChIInChI=1S/C17H25N3O/c1-2-5-11-19(10-4-1)12-7-8-14-21-17-15-16-9-3-6-13-20(16)18-17/h3,6,9,13,15H,1-2,4-5,7-8,10-12,14H2
InChIKeyJAZKFCVLDZXWJZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.37
Rot. Bonds6

About 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine

2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 71712215) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine
PubChem CID71712215
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine
SMILESc1ccn2nc(OCCCCN3CCCCCC3)cc2c1
InChIInChI=1S/C17H25N3O/c1-2-5-11-19(10-4-1)12-7-8-14-21-17-15-16-9-3-6-13-20(16)18-17/h3,6,9,13,15H,1-2,4-5,7-8,10-12,14H2
InChIKeyJAZKFCVLDZXWJZ-UHFFFAOYSA-N
XLogP3.37
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
CID 158648204
oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
CID 71711797
2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71712010
bis((Z)-but-2-enedioic acid);2-[4-(4-cyclohexylpiperazin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71711950
2-(2-pyrazolo[1,5-a]pyridin-2-yloxyethyl)-3,4-dihydro-1H-isoquinoline
CID 71712147
N,N-diethyl-2-pyrazolo[1,5-a]pyridin-2-yloxyethanamine
CID 71711790
bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine
CID 71712150
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71711401
4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 142664562
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine (CID 71712215) is 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine is c1ccn2nc(OCCCCN3CCCCCC3)cc2c1.
What is the InChIKey of 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is JAZKFCVLDZXWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-5-11-19(10-4-1)12-7-8-14-21-17-15-16-9-3-6-13-20(16)18-17/h3,6,9,13,15H,1-2,4-5,7-8,10-12,14H2.
What are the key properties of 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine?
2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 287.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71712215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).