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

C20H21FN4 — CID 99928577

IUPAC3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESFc1ccc(-n2cc(CN3CCCC[C@H]3c3cccnc3)cn2)cc1
InChIInChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)25-15-16(12-23-25)14-24-11-2-1-5-20(24)17-4-3-10-22-13-17/h3-4,6-10,12-13,15,20H,1-2,5,11,14H2/t20-/m0/s1
InChIKeyFODYPYXQIVPOBF-FQEVSTJZSA-N
MW336.41 g/mol
LogP4.13
Rot. Bonds4

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

3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine (PubChem CID 99928577) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
PubChem CID99928577
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESFc1ccc(-n2cc(CN3CCCC[C@H]3c3cccnc3)cn2)cc1
InChIInChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)25-15-16(12-23-25)14-24-11-2-1-5-20(24)17-4-3-10-22-13-17/h3-4,6-10,12-13,15,20H,1-2,5,11,14H2/t20-/m0/s1
InChIKeyFODYPYXQIVPOBF-FQEVSTJZSA-N
XLogP4.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755227
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910502
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99948448
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane
CID 18288296
3-[(2S)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]pyridine
CID 40533269
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 77085482

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine (CID 99928577) is 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine is Fc1ccc(-n2cc(CN3CCCC[C@H]3c3cccnc3)cn2)cc1.
What is the InChIKey of 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The InChIKey is FODYPYXQIVPOBF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21FN4/c21-18-6-8-19(9-7-18)25-15-16(12-23-25)14-24-11-2-1-5-20(24)17-4-3-10-22-13-17/h3-4,6-10,12-13,15,20H,1-2,5,11,14H2/t20-/m0/s1.
What are the key properties of 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine has a molecular weight of 336.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 99928577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).