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

C20H21FN4 — CID 77085482

IUPAC3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESFc1cccc(-c2[nH]ncc2CN2CCCCC2c2cccnc2)c1
InChIInChI=1S/C20H21FN4/c21-18-7-3-5-15(11-18)20-17(13-23-24-20)14-25-10-2-1-8-19(25)16-6-4-9-22-12-16/h3-7,9,11-13,19H,1-2,8,10,14H2,(H,23,24)
InChIKeyASXDYRAOBPRYAU-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.34
Rot. Bonds4

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

3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine (PubChem CID 77085482) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
PubChem CID77085482
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESFc1cccc(-c2[nH]ncc2CN2CCCCC2c2cccnc2)c1
InChIInChI=1S/C20H21FN4/c21-18-7-3-5-15(11-18)20-17(13-23-24-20)14-25-10-2-1-8-19(25)16-6-4-9-22-12-16/h3-7,9,11-13,19H,1-2,8,10,14H2,(H,23,24)
InChIKeyASXDYRAOBPRYAU-UHFFFAOYSA-N
XLogP4.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
CID 124995760
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 95880993
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
3-[[(2R)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125009925
2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 135113599
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
CID 99928446
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99928577
[4-fluoro-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 43576029

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine (CID 77085482) is 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine is Fc1cccc(-c2[nH]ncc2CN2CCCCC2c2cccnc2)c1.
What is the InChIKey of 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The InChIKey is ASXDYRAOBPRYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c21-18-7-3-5-15(11-18)20-17(13-23-24-20)14-25-10-2-1-8-19(25)16-6-4-9-22-12-16/h3-7,9,11-13,19H,1-2,8,10,14H2,(H,23,24).
What are the key properties of 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine has a molecular weight of 336.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 77085482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).