3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine

C21H24Cl2N4O — CID 25072327

IUPAC3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESClc1ccccc1N1CCN(CCCCOc2ccn3ncc(Cl)c3c2)CC1
InChIInChI=1S/C21H24Cl2N4O/c22-18-5-1-2-6-20(18)26-12-10-25(11-13-26)8-3-4-14-28-17-7-9-27-21(15-17)19(23)16-24-27/h1-2,5-7,9,15-16H,3-4,8,10-14H2
InChIKeyNRECFKWBVQHHHJ-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.62
Rot. Bonds7

About 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine

3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 25072327) has the molecular formula C21H24Cl2N4O and a molecular weight of 419.36 g/mol. Its IUPAC name is 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
PubChem CID25072327
Molecular FormulaC21H24Cl2N4O
Molecular Weight419.36 g/mol
Exact Mass418.13
IUPAC Name3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESClc1ccccc1N1CCN(CCCCOc2ccn3ncc(Cl)c3c2)CC1
InChIInChI=1S/C21H24Cl2N4O/c22-18-5-1-2-6-20(18)26-12-10-25(11-13-26)8-3-4-14-28-17-7-9-27-21(15-17)19(23)16-24-27/h1-2,5-7,9,15-16H,3-4,8,10-14H2
InChIKeyNRECFKWBVQHHHJ-UHFFFAOYSA-N
XLogP4.62
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.62
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

5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071386
methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 68716440
3-iodo-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072630
[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methanol
CID 90644227
5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 167451868
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]benzene-1,2-diamine
CID 11473477
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
CID 139623945
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]aniline;dihydrochloride
CID 10222918
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25071067
1-[4-(4-chloro-3-fluorophenoxy)butyl]-4-[2-(4-methoxyphenyl)phenyl]piperazine
CID 162642955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine (CID 25072327) is 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is Clc1ccccc1N1CCN(CCCCOc2ccn3ncc(Cl)c3c2)CC1.
What is the InChIKey of 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is NRECFKWBVQHHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O/c22-18-5-1-2-6-20(18)26-12-10-25(11-13-26)8-3-4-14-28-17-7-9-27-21(15-17)19(23)16-24-27/h1-2,5-7,9,15-16H,3-4,8,10-14H2.
What are the key properties of 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 419.36 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 25072327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).