1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine

C21H24Cl2N4 — CID 142689415

IUPAC1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
SMILESClc1cccc(N2CCN(CCCCn3ccc4cccnc43)CC2)c1Cl
InChIInChI=1S/C21H24Cl2N4/c22-18-6-3-7-19(20(18)23)26-15-13-25(14-16-26)10-1-2-11-27-12-8-17-5-4-9-24-21(17)27/h3-9,12H,1-2,10-11,13-16H2
InChIKeyOITZOWLJGXHLBA-UHFFFAOYSA-N
MW403.36 g/mol
LogP4.95
Rot. Bonds6

About 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine

1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine (PubChem CID 142689415) has the molecular formula C21H24Cl2N4 and a molecular weight of 403.36 g/mol. Its IUPAC name is 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
PubChem CID142689415
Molecular FormulaC21H24Cl2N4
Molecular Weight403.36 g/mol
Exact Mass402.14
IUPAC Name1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
SMILESClc1cccc(N2CCN(CCCCn3ccc4cccnc43)CC2)c1Cl
InChIInChI=1S/C21H24Cl2N4/c22-18-6-3-7-19(20(18)23)26-15-13-25(14-16-26)10-1-2-11-27-12-8-17-5-4-9-24-21(17)27/h3-9,12H,1-2,10-11,13-16H2
InChIKeyOITZOWLJGXHLBA-UHFFFAOYSA-N
XLogP4.95
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 54.95
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine (CID 142689415) is 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine is Clc1cccc(N2CCN(CCCCn3ccc4cccnc43)CC2)c1Cl.
What is the InChIKey of 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine?
The InChIKey is OITZOWLJGXHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4/c22-18-6-3-7-19(20(18)23)26-15-13-25(14-16-26)10-1-2-11-27-12-8-17-5-4-9-24-21(17)27/h3-9,12H,1-2,10-11,13-16H2.
What are the key properties of 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine?
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine has a molecular weight of 403.36 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142689415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).