3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C21H22N6 — CID 75514760

IUPAC3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1cc(CN2CCCC(c3nnc4ccccn34)C2)cc(-n2cccn2)c1
InChIInChI=1S/C21H22N6/c1-2-12-26-20(9-1)23-24-21(26)18-7-4-11-25(16-18)15-17-6-3-8-19(14-17)27-13-5-10-22-27/h1-3,5-6,8-10,12-14,18H,4,7,11,15-16H2
InChIKeyZRFQCTYVHGHLDH-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.29
Rot. Bonds4

About 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 75514760) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID75514760
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1cc(CN2CCCC(c3nnc4ccccn34)C2)cc(-n2cccn2)c1
InChIInChI=1S/C21H22N6/c1-2-12-26-20(9-1)23-24-21(26)18-7-4-11-25(16-18)15-17-6-3-8-19(14-17)27-13-5-10-22-27/h1-3,5-6,8-10,12-14,18H,4,7,11,15-16H2
InChIKeyZRFQCTYVHGHLDH-UHFFFAOYSA-N
XLogP3.29
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-fluoro-5-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenol
CID 126782854
N-ethyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99961247
3-[(3S)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99942074
3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 100624676
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
CID 70735219
2-methyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136306
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
3-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 124750094
3,5-dimethyl-2-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124907243
5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 131934151
1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337
4-[1-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56888182

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 75514760) is 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is c1cc(CN2CCCC(c3nnc4ccccn34)C2)cc(-n2cccn2)c1.
What is the InChIKey of 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZRFQCTYVHGHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-2-12-26-20(9-1)23-24-21(26)18-7-4-11-25(16-18)15-17-6-3-8-19(14-17)27-13-5-10-22-27/h1-3,5-6,8-10,12-14,18H,4,7,11,15-16H2.
What are the key properties of 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 358.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 75514760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).