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

C21H32N4O — CID 71712010

IUPAC2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
SMILESc1ccn2nc(OCCCCN3CCC(N4CCCCC4)CC3)cc2c1
InChIInChI=1S/C21H32N4O/c1-3-12-24(13-4-1)19-9-15-23(16-10-19)11-6-7-17-26-21-18-20-8-2-5-14-25(20)22-21/h2,5,8,14,18-19H,1,3-4,6-7,9-13,15-17H2
InChIKeyZHWMKRNXBWVOMO-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.44
Rot. Bonds7

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

2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 71712010) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
PubChem CID71712010
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
SMILESc1ccn2nc(OCCCCN3CCC(N4CCCCC4)CC3)cc2c1
InChIInChI=1S/C21H32N4O/c1-3-12-24(13-4-1)19-9-15-23(16-10-19)11-6-7-17-26-21-18-20-8-2-5-14-25(20)22-21/h2,5,8,14,18-19H,1,3-4,6-7,9-13,15-17H2
InChIKeyZHWMKRNXBWVOMO-UHFFFAOYSA-N
XLogP3.44
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
CID 158648204
bis((Z)-but-2-enedioic acid);2-[4-(4-cyclohexylpiperazin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71711950
oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
CID 71711797
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-(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
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 69351372
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine
CID 48568943
2-chloro-10-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]phenothiazine
CID 135251804
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71711401

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine (CID 71712010) is 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine is c1ccn2nc(OCCCCN3CCC(N4CCCCC4)CC3)cc2c1.
What is the InChIKey of 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is ZHWMKRNXBWVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-3-12-24(13-4-1)19-9-15-23(16-10-19)11-6-7-17-26-21-18-20-8-2-5-14-25(20)22-21/h2,5,8,14,18-19H,1,3-4,6-7,9-13,15-17H2.
What are the key properties of 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine?
2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 356.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71712010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).