5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde

C20H18FN3O2 — CID 140543271

IUPAC5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCNCC3c3ccc(F)cc3)nc2)o1
InChIInChI=1S/C20H18FN3O2/c21-16-4-1-14(2-5-16)18-12-22-9-10-24(18)20-8-3-15(11-23-20)19-7-6-17(13-25)26-19/h1-8,11,13,18,22H,9-10,12H2
InChIKeyGZFMPXDFMIMDIL-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.44
Rot. Bonds4

About 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde

5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde (PubChem CID 140543271) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde
PubChem CID140543271
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(N3CCNCC3c3ccc(F)cc3)nc2)o1
InChIInChI=1S/C20H18FN3O2/c21-16-4-1-14(2-5-16)18-12-22-9-10-24(18)20-8-3-15(11-23-20)19-7-6-17(13-25)26-19/h1-8,11,13,18,22H,9-10,12H2
InChIKeyGZFMPXDFMIMDIL-UHFFFAOYSA-N
XLogP3.44
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde?
The IUPAC name of 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde (CID 140543271) is 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(N3CCNCC3c3ccc(F)cc3)nc2)o1.
What is the InChIKey of 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde?
The InChIKey is GZFMPXDFMIMDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-16-4-1-14(2-5-16)18-12-22-9-10-24(18)20-8-3-15(11-23-20)19-7-6-17(13-25)26-19/h1-8,11,13,18,22H,9-10,12H2.
What are the key properties of 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde?
5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde has a molecular weight of 351.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]furan-2-carbaldehyde is sourced from PubChem (CID 140543271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).