methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate

C13H11ClN4O2 — CID 168830316

IUPACmethyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cn2cc(Cl)cc(-c3cn[nH]c3)c2n1
InChIInChI=1S/C13H11ClN4O2/c1-20-12(19)3-10-7-18-6-9(14)2-11(13(18)17-10)8-4-15-16-5-8/h2,4-7H,3H2,1H3,(H,15,16)
InChIKeyBNCBEZHLTAJHLY-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.09
Rot. Bonds3

About methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate

methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 168830316) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID168830316
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Namemethyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cn2cc(Cl)cc(-c3cn[nH]c3)c2n1
InChIInChI=1S/C13H11ClN4O2/c1-20-12(19)3-10-7-18-6-9(14)2-11(13(18)17-10)8-4-15-16-5-8/h2,4-7H,3H2,1H3,(H,15,16)
InChIKeyBNCBEZHLTAJHLY-UHFFFAOYSA-N
XLogP2.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate (CID 168830316) is methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate is COC(=O)Cc1cn2cc(Cl)cc(-c3cn[nH]c3)c2n1.
What is the InChIKey of methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is BNCBEZHLTAJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-20-12(19)3-10-7-18-6-9(14)2-11(13(18)17-10)8-4-15-16-5-8/h2,4-7H,3H2,1H3,(H,15,16).
What are the key properties of methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate?
methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 290.71 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-chloro-8-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 168830316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).