5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine

C22H28N4O2 — CID 25071067

IUPAC5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-27-21-6-4-19(5-7-21)25-15-13-24(14-16-25)11-2-3-17-28-22-9-12-26-20(18-22)8-10-23-26/h4-10,12,18H,2-3,11,13-17H2,1H3
InChIKeyNNGAHSYQGXPHNL-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.32
Rot. Bonds8

About 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine

5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 25071067) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
PubChem CID25071067
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-27-21-6-4-19(5-7-21)25-15-13-24(14-16-25)11-2-3-17-28-22-9-12-26-20(18-22)8-10-23-26/h4-10,12,18H,2-3,11,13-17H2,1H3
InChIKeyNNGAHSYQGXPHNL-UHFFFAOYSA-N
XLogP3.32
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25073254
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
7-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-ol
CID 135339905
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
CID 3070132
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
3-iodo-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072630
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
4-[4-[6-(4-methoxyphenoxy)hexyl]piperazin-1-yl]-2,6-dipyridin-2-ylpyrimidine
CID 19894595

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (CID 25071067) is 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is COc1ccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)cc1.
What is the InChIKey of 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is NNGAHSYQGXPHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-27-21-6-4-19(5-7-21)25-15-13-24(14-16-25)11-2-3-17-28-22-9-12-26-20(18-22)8-10-23-26/h4-10,12,18H,2-3,11,13-17H2,1H3.
What are the key properties of 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 380.49 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 25071067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).