methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine

C17H27N3O — CID 158648204

IUPACmethane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
SMILESC.c1ccn2nc(OCCCCN3CCCCC3)cc2c1
InChIInChI=1S/C16H23N3O.CH4/c1-3-9-18(10-4-1)11-6-7-13-20-16-14-15-8-2-5-12-19(15)17-16;/h2,5,8,12,14H,1,3-4,6-7,9-11,13H2;1H4
InChIKeyIBFMKDATYGVOAX-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.62
Rot. Bonds6

About methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine

methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine (PubChem CID 158648204) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Namemethane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
PubChem CID158648204
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Namemethane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
SMILESC.c1ccn2nc(OCCCCN3CCCCC3)cc2c1
InChIInChI=1S/C16H23N3O.CH4/c1-3-9-18(10-4-1)11-6-7-13-20-16-14-15-8-2-5-12-19(15)17-16;/h2,5,8,12,14H,1,3-4,6-7,9-11,13H2;1H4
InChIKeyIBFMKDATYGVOAX-UHFFFAOYSA-N
XLogP3.62
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.62
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

2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71712215
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-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-(12-anthracen-9-yloxydodecyl)pyrrolidine
CID 21280882

Frequently Asked Questions

What is the IUPAC name of methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine?
The IUPAC name of methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine (CID 158648204) is methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine?
The canonical SMILES for methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine is C.c1ccn2nc(OCCCCN3CCCCC3)cc2c1.
What is the InChIKey of methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine?
The InChIKey is IBFMKDATYGVOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.CH4/c1-3-9-18(10-4-1)11-6-7-13-20-16-14-15-8-2-5-12-19(15)17-16;/h2,5,8,12,14H,1,3-4,6-7,9-11,13H2;1H4.
What are the key properties of methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine?
methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine has a molecular weight of 289.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158648204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).