5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine

C20H23N5 — CID 136548930

IUPAC5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine
SMILESc1ccc(-c2ccc(CN3CCC(Cn4cccn4)CC3)cn2)nc1
InChIInChI=1S/C20H23N5/c1-2-9-21-19(4-1)20-6-5-18(14-22-20)15-24-12-7-17(8-13-24)16-25-11-3-10-23-25/h1-6,9-11,14,17H,7-8,12-13,15-16H2
InChIKeyCPIRJKIZGLBJDJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.25
Rot. Bonds5

About 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine

5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine (PubChem CID 136548930) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine
PubChem CID136548930
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine
SMILESc1ccc(-c2ccc(CN3CCC(Cn4cccn4)CC3)cn2)nc1
InChIInChI=1S/C20H23N5/c1-2-9-21-19(4-1)20-6-5-18(14-22-20)15-24-12-7-17(8-13-24)16-25-11-3-10-23-25/h1-6,9-11,14,17H,7-8,12-13,15-16H2
InChIKeyCPIRJKIZGLBJDJ-UHFFFAOYSA-N
XLogP3.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495314
1-ethyl-3-[1-[(6-pyridin-2-yl-3-pyridinyl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 146134129
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
methyl 4-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate
CID 90495331
(2R)-2-(pyrazol-1-ylmethyl)-4-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-1,4-oxazepane
CID 99946385
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
ethane;5-ethyl-2-pyridin-2-ylpyridine
CID 143067787
2-methyl-5-[(4-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 121275152
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine?
The IUPAC name of 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine (CID 136548930) is 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine is c1ccc(-c2ccc(CN3CCC(Cn4cccn4)CC3)cn2)nc1.
What is the InChIKey of 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine?
The InChIKey is CPIRJKIZGLBJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-9-21-19(4-1)20-6-5-18(14-22-20)15-24-12-7-17(8-13-24)16-25-11-3-10-23-25/h1-6,9-11,14,17H,7-8,12-13,15-16H2.
What are the key properties of 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine?
5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine has a molecular weight of 333.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 136548930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).