4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine

C26H24ClFN4 — CID 22953792

IUPAC4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine
SMILESFC1CN(Cc2ccccc2)CCC1c1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C26H24ClFN4/c27-21-8-6-20(7-9-21)25-24(19-10-13-29-14-11-19)26(31-30-25)22-12-15-32(17-23(22)28)16-18-4-2-1-3-5-18/h1-11,13-14,22-23H,12,15-17H2,(H,30,31)
InChIKeyHKGPXYAXECFIAH-UHFFFAOYSA-N
MW446.96 g/mol
LogP6.12
Rot. Bonds5

About 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine

4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine (PubChem CID 22953792) has the molecular formula C26H24ClFN4 and a molecular weight of 446.96 g/mol. Its IUPAC name is 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine
PubChem CID22953792
Molecular FormulaC26H24ClFN4
Molecular Weight446.96 g/mol
Exact Mass446.17
IUPAC Name4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine
SMILESFC1CN(Cc2ccccc2)CCC1c1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1
InChIInChI=1S/C26H24ClFN4/c27-21-8-6-20(7-9-21)25-24(19-10-13-29-14-11-19)26(31-30-25)22-12-15-32(17-23(22)28)16-18-4-2-1-3-5-18/h1-11,13-14,22-23H,12,15-17H2,(H,30,31)
InChIKeyHKGPXYAXECFIAH-UHFFFAOYSA-N
XLogP6.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine (CID 22953792) is 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine is FC1CN(Cc2ccccc2)CCC1c1[nH]nc(-c2ccc(Cl)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is HKGPXYAXECFIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4/c27-21-8-6-20(7-9-21)25-24(19-10-13-29-14-11-19)26(31-30-25)22-12-15-32(17-23(22)28)16-18-4-2-1-3-5-18/h1-11,13-14,22-23H,12,15-17H2,(H,30,31).
What are the key properties of 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine?
4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 446.96 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-benzyl-3-fluoropiperidin-4-yl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22953792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).