1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine

C23H32N4 — CID 141135466

IUPAC1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
SMILESCc1cccc(N2CCN(CCCCN3CC=C4C=CC=CN43)CC2)c1C
InChIInChI=1S/C23H32N4/c1-20-8-7-10-23(21(20)2)25-18-16-24(17-19-25)12-5-6-13-26-15-11-22-9-3-4-14-27(22)26/h3-4,7-11,14H,5-6,12-13,15-19H2,1-2H3
InChIKeyHQWZOXUBDUDMCK-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.71
Rot. Bonds6

About 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine

1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine (PubChem CID 141135466) has the molecular formula C23H32N4 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
PubChem CID141135466
Molecular FormulaC23H32N4
Molecular Weight364.54 g/mol
Exact Mass364.26
IUPAC Name1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
SMILESCc1cccc(N2CCN(CCCCN3CC=C4C=CC=CN43)CC2)c1C
InChIInChI=1S/C23H32N4/c1-20-8-7-10-23(21(20)2)25-18-16-24(17-19-25)12-5-6-13-26-15-11-22-9-3-4-14-27(22)26/h3-4,7-11,14H,5-6,12-13,15-19H2,1-2H3
InChIKeyHQWZOXUBDUDMCK-UHFFFAOYSA-N
XLogP3.71
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.71
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

1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135477
1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135451
1-(2-chloroethyl)-4-(2,3-dimethylphenyl)piperazine
CID 61286908
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanenitrile
CID 11107993
6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135448
2-amino-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butanoic acid
CID 63028507
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethoxy]ethanol
CID 61071831
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propylsulfanyl]aniline;dihydrochloride
CID 10224460
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
1-(2,3-dimethylphenyl)-4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine
CID 163344961
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine (CID 141135466) is 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine is Cc1cccc(N2CCN(CCCCN3CC=C4C=CC=CN43)CC2)c1C.
What is the InChIKey of 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine?
The InChIKey is HQWZOXUBDUDMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4/c1-20-8-7-10-23(21(20)2)25-18-16-24(17-19-25)12-5-6-13-26-15-11-22-9-3-4-14-27(22)26/h3-4,7-11,14H,5-6,12-13,15-19H2,1-2H3.
What are the key properties of 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine?
1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine has a molecular weight of 364.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 141135466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).