6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

C16H19ClN6 — CID 56780613

IUPAC6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CN3CCCCC3Cn3cncn3)cn2c1
InChIInChI=1S/C16H19ClN6/c17-13-4-5-16-20-14(9-22(16)7-13)8-21-6-2-1-3-15(21)10-23-12-18-11-19-23/h4-5,7,9,11-12,15H,1-3,6,8,10H2
InChIKeyXYSZLVKIYRJVNV-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.63
Rot. Bonds4

About 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 56780613) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID56780613
Molecular FormulaC16H19ClN6
Molecular Weight330.82 g/mol
Exact Mass330.14
IUPAC Name6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CN3CCCCC3Cn3cncn3)cn2c1
InChIInChI=1S/C16H19ClN6/c17-13-4-5-16-20-14(9-22(16)7-13)8-21-6-2-1-3-15(21)10-23-12-18-11-19-23/h4-5,7,9,11-12,15H,1-3,6,8,10H2
InChIKeyXYSZLVKIYRJVNV-UHFFFAOYSA-N
XLogP2.63
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 56780613) is 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is Clc1ccc2nc(CN3CCCCC3Cn3cncn3)cn2c1.
What is the InChIKey of 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is XYSZLVKIYRJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6/c17-13-4-5-16-20-14(9-22(16)7-13)8-21-6-2-1-3-15(21)10-23-12-18-11-19-23/h4-5,7,9,11-12,15H,1-3,6,8,10H2.
What are the key properties of 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 330.82 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 56780613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).