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

C22H25ClN4O2 — CID 25071386

IUPAC5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc12
InChIInChI=1S/C22H25ClN4O2/c23-20-5-1-2-6-21(20)26-12-10-25(11-13-26)8-3-4-14-29-19-7-9-27-22(15-19)18(17-28)16-24-27/h1-2,5-7,9,15-17H,3-4,8,10-14H2
InChIKeyQPMPHDWQFPAOLB-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.78
Rot. Bonds8

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

5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 25071386) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID25071386
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc12
InChIInChI=1S/C22H25ClN4O2/c23-20-5-1-2-6-21(20)26-12-10-25(11-13-26)8-3-4-14-29-19-7-9-27-22(15-19)18(17-28)16-24-27/h1-2,5-7,9,15-17H,3-4,8,10-14H2
InChIKeyQPMPHDWQFPAOLB-UHFFFAOYSA-N
XLogP3.78
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072327
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
6-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69164528
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-(aminomethyl)-7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-naphthalen-2-one
CID 147533941
[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone
CID 10549490
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-2-nitroaniline
CID 11268901
2-[4-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-2-hydroxyphenyl]cyclopentene-1-carbaldehyde
CID 144519639

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 25071386) is 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde is O=Cc1cnn2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc12.
What is the InChIKey of 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is QPMPHDWQFPAOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c23-20-5-1-2-6-21(20)26-12-10-25(11-13-26)8-3-4-14-29-19-7-9-27-22(15-19)18(17-28)16-24-27/h1-2,5-7,9,15-17H,3-4,8,10-14H2.
What are the key properties of 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde?
5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 412.92 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 25071386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).