6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C22H24FN5O — CID 56742493

IUPAC6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)nc1
InChIInChI=1S/C22H24FN5O/c1-27(2)22(29)17-6-7-20(24-13-17)28-10-8-15(9-11-28)21-19(14-25-26-21)16-4-3-5-18(23)12-16/h3-7,12-15H,8-11H2,1-2H3,(H,25,26)
InChIKeyJVUBZRPUXRAUCY-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.70
Rot. Bonds4

About 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 56742493) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID56742493
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)nc1
InChIInChI=1S/C22H24FN5O/c1-27(2)22(29)17-6-7-20(24-13-17)28-10-8-15(9-11-28)21-19(14-25-26-21)16-4-3-5-18(23)12-16/h3-7,12-15H,8-11H2,1-2H3,(H,25,26)
InChIKeyJVUBZRPUXRAUCY-UHFFFAOYSA-N
XLogP3.70
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide 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 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 56742493) is 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCC(c3[nH]ncc3-c3cccc(F)c3)CC2)nc1.
What is the InChIKey of 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is JVUBZRPUXRAUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-27(2)22(29)17-6-7-20(24-13-17)28-10-8-15(9-11-28)21-19(14-25-26-21)16-4-3-5-18(23)12-16/h3-7,12-15H,8-11H2,1-2H3,(H,25,26).
What are the key properties of 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 56742493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).