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

C22H24Cl2N4O2 — CID 90644228

IUPAC5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde
SMILESO=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1
InChIInChI=1S/C22H24Cl2N4O2/c23-20-4-3-5-21(22(20)24)27-11-9-26(10-12-27)7-1-2-13-30-19-6-8-28-18(15-19)14-17(16-29)25-28/h3-6,8,14-16H,1-2,7,9-13H2
InChIKeyBRJGIZVBTXYEBD-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.43
Rot. Bonds8

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

5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde (PubChem CID 90644228) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde
PubChem CID90644228
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde
SMILESO=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1
InChIInChI=1S/C22H24Cl2N4O2/c23-20-4-3-5-21(22(20)24)27-11-9-26(10-12-27)7-1-2-13-30-19-6-8-28-18(15-19)14-17(16-29)25-28/h3-6,8,14-16H,1-2,7,9-13H2
InChIKeyBRJGIZVBTXYEBD-UHFFFAOYSA-N
XLogP4.43
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.43
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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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde?
The IUPAC name of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde (CID 90644228) is 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde is O=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1.
What is the InChIKey of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde?
The InChIKey is BRJGIZVBTXYEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c23-20-4-3-5-21(22(20)24)27-11-9-26(10-12-27)7-1-2-13-30-19-6-8-28-18(15-19)14-17(16-29)25-28/h3-6,8,14-16H,1-2,7,9-13H2.
What are the key properties of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde?
5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde has a molecular weight of 447.37 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde is sourced from PubChem (CID 90644228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).