2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine

C26H24ClFN4 — CID 71238551

IUPAC2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
SMILESFc1ccc([C@@H]2CN(Cc3ccccn3)CC[C@H]2c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C26H24ClFN4/c27-20-8-4-19(5-9-20)25-15-26(31-30-25)23-12-14-32(16-22-3-1-2-13-29-22)17-24(23)18-6-10-21(28)11-7-18/h1-11,13,15,23-24H,12,14,16-17H2,(H,30,31)/t23-,24+/m1/s1
InChIKeySKYVTEABDIICAC-RPWUZVMVSA-N
MW446.96 g/mol
LogP6.04
Rot. Bonds5

About 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine

2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine (PubChem CID 71238551) has the molecular formula C26H24ClFN4 and a molecular weight of 446.96 g/mol. Its IUPAC name is 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
PubChem CID71238551
Molecular FormulaC26H24ClFN4
Molecular Weight446.96 g/mol
Exact Mass446.17
IUPAC Name2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
SMILESFc1ccc([C@@H]2CN(Cc3ccccn3)CC[C@H]2c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C26H24ClFN4/c27-20-8-4-19(5-9-20)25-15-26(31-30-25)23-12-14-32(16-22-3-1-2-13-29-22)17-24(23)18-6-10-21(28)11-7-18/h1-11,13,15,23-24H,12,14,16-17H2,(H,30,31)/t23-,24+/m1/s1
InChIKeySKYVTEABDIICAC-RPWUZVMVSA-N
XLogP6.04
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 ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine (CID 71238551) is 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine is Fc1ccc([C@@H]2CN(Cc3ccccn3)CC[C@H]2c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is SKYVTEABDIICAC-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H24ClFN4/c27-20-8-4-19(5-9-20)25-15-26(31-30-25)23-12-14-32(16-22-3-1-2-13-29-22)17-24(23)18-6-10-21(28)11-7-18/h1-11,13,15,23-24H,12,14,16-17H2,(H,30,31)/t23-,24+/m1/s1.
What are the key properties of 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine?
2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 446.96 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 71238551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).