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

C20H21FN4 — CID 99948448

IUPAC2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESFc1cccc(-n2cc(CN3CCCC[C@@H]3c3ccccn3)cn2)c1
InChIInChI=1S/C20H21FN4/c21-17-6-5-7-18(12-17)25-15-16(13-23-25)14-24-11-4-2-9-20(24)19-8-1-3-10-22-19/h1,3,5-8,10,12-13,15,20H,2,4,9,11,14H2/t20-/m1/s1
InChIKeyDXVCBDPUEOZWRP-HXUWFJFHSA-N
MW336.41 g/mol
LogP4.13
Rot. Bonds4

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

2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine (PubChem CID 99948448) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
PubChem CID99948448
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESFc1cccc(-n2cc(CN3CCCC[C@@H]3c3ccccn3)cn2)c1
InChIInChI=1S/C20H21FN4/c21-17-6-5-7-18(12-17)25-15-16(13-23-25)14-24-11-4-2-9-20(24)19-8-1-3-10-22-19/h1,3,5-8,10,12-13,15,20H,2,4,9,11,14H2/t20-/m1/s1
InChIKeyDXVCBDPUEOZWRP-HXUWFJFHSA-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

2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
3-[(2S)-1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99928577
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 56918216
2-[(2R)-1-[2-(3,5-difluorophenyl)ethyl]piperidin-2-yl]pyridine
CID 29084179
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
4-benzyl-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine;hydrochloride
CID 110170320
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane
CID 18288296
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine (CID 99948448) is 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine is Fc1cccc(-n2cc(CN3CCCC[C@@H]3c3ccccn3)cn2)c1.
What is the InChIKey of 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
The InChIKey is DXVCBDPUEOZWRP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21FN4/c21-17-6-5-7-18(12-17)25-15-16(13-23-25)14-24-11-4-2-9-20(24)19-8-1-3-10-22-19/h1,3,5-8,10,12-13,15,20H,2,4,9,11,14H2/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine?
2-[(2R)-1-[[1-(3-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 2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 99948448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).