N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine

C13H14ClN5 — CID 79484480

IUPACN-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1c(Cl)nc2ccccn12
InChIInChI=1S/C13H14ClN5/c1-2-15-7-9-8-16-18-11(9)12-13(14)17-10-5-3-4-6-19(10)12/h3-6,8,15H,2,7H2,1H3,(H,16,18)
InChIKeyWAPTVBDGSIUBHB-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.49
Rot. Bonds4

About N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine

N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 79484480) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID79484480
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC NameN-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1c(Cl)nc2ccccn12
InChIInChI=1S/C13H14ClN5/c1-2-15-7-9-8-16-18-11(9)12-13(14)17-10-5-3-4-6-19(10)12/h3-6,8,15H,2,7H2,1H3,(H,16,18)
InChIKeyWAPTVBDGSIUBHB-UHFFFAOYSA-N
XLogP2.49
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 79484480) is N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine is CCNCc1cn[nH]c1-c1c(Cl)nc2ccccn12.
What is the InChIKey of N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is WAPTVBDGSIUBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-2-15-7-9-8-16-18-11(9)12-13(14)17-10-5-3-4-6-19(10)12/h3-6,8,15H,2,7H2,1H3,(H,16,18).
What are the key properties of N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 275.74 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79484480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).