6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine

C22H27BrCl2N4 — CID 141135448

IUPAC6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCCN3CC=C4C=CC(Br)=CN43)CC2)c1Cl
InChIInChI=1S/C22H27BrCl2N4/c23-18-7-8-19-9-12-28(29(19)17-18)11-3-1-2-10-26-13-15-27(16-14-26)21-6-4-5-20(24)22(21)25/h4-9,17H,1-3,10-16H2
InChIKeyMQLNEARPWHQAON-UHFFFAOYSA-N
MW498.30 g/mol
LogP5.51
Rot. Bonds7

About 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine

6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine (PubChem CID 141135448) has the molecular formula C22H27BrCl2N4 and a molecular weight of 498.30 g/mol. Its IUPAC name is 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
PubChem CID141135448
Molecular FormulaC22H27BrCl2N4
Molecular Weight498.30 g/mol
Exact Mass496.08
IUPAC Name6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
SMILESClc1cccc(N2CCN(CCCCCN3CC=C4C=CC(Br)=CN43)CC2)c1Cl
InChIInChI=1S/C22H27BrCl2N4/c23-18-7-8-19-9-12-28(29(19)17-18)11-3-1-2-10-26-13-15-27(16-14-26)21-6-4-5-20(24)22(21)25/h4-9,17H,1-3,10-16H2
InChIKeyMQLNEARPWHQAON-UHFFFAOYSA-N
XLogP5.51
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.30
LogP ≤ 55.51
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-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135466
1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135477
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CID 16752492
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
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N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
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CID 10007017
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CID 11511026
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
CID 123755399
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
CID 21073533
1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135451

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine (CID 141135448) is 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine is Clc1cccc(N2CCN(CCCCCN3CC=C4C=CC(Br)=CN43)CC2)c1Cl.
What is the InChIKey of 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine?
The InChIKey is MQLNEARPWHQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrCl2N4/c23-18-7-8-19-9-12-28(29(19)17-18)11-3-1-2-10-26-13-15-27(16-14-26)21-6-4-5-20(24)22(21)25/h4-9,17H,1-3,10-16H2.
What are the key properties of 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine?
6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine has a molecular weight of 498.30 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 141135448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).