[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C17H20N6O — CID 56779135

IUPAC[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3nncn3c2)c1
InChIInChI=1S/C17H20N6O/c1-13-8-19-22(9-13)11-15-4-2-3-7-23(15)17(24)14-5-6-16-20-18-12-21(16)10-14/h5-6,8-10,12,15H,2-4,7,11H2,1H3
InChIKeyKQAAMZOFGFXSEY-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.93
Rot. Bonds3

About [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 56779135) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID56779135
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3nncn3c2)c1
InChIInChI=1S/C17H20N6O/c1-13-8-19-22(9-13)11-15-4-2-3-7-23(15)17(24)14-5-6-16-20-18-12-21(16)10-14/h5-6,8-10,12,15H,2-4,7,11H2,1H3
InChIKeyKQAAMZOFGFXSEY-UHFFFAOYSA-N
XLogP1.93
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 56779135) is [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is Cc1cnn(CC2CCCCN2C(=O)c2ccc3nncn3c2)c1.
What is the InChIKey of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is KQAAMZOFGFXSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-8-19-22(9-13)11-15-4-2-3-7-23(15)17(24)14-5-6-16-20-18-12-21(16)10-14/h5-6,8-10,12,15H,2-4,7,11H2,1H3.
What are the key properties of [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 324.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 56779135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).