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

C19H16N4O2 — CID 58207890

IUPACmethyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cn2cc(-c3cn[nH]c3)cc(-c3ccccc3)c2n1
InChIInChI=1S/C19H16N4O2/c1-25-18(24)8-16-12-23-11-14(15-9-20-21-10-15)7-17(19(23)22-16)13-5-3-2-4-6-13/h2-7,9-12H,8H2,1H3,(H,20,21)
InChIKeyCOANLLCESWIWMG-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.11
Rot. Bonds4

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

methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 58207890) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID58207890
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Namemethyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCOC(=O)Cc1cn2cc(-c3cn[nH]c3)cc(-c3ccccc3)c2n1
InChIInChI=1S/C19H16N4O2/c1-25-18(24)8-16-12-23-11-14(15-9-20-21-10-15)7-17(19(23)22-16)13-5-3-2-4-6-13/h2-7,9-12H,8H2,1H3,(H,20,21)
InChIKeyCOANLLCESWIWMG-UHFFFAOYSA-N
XLogP3.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate (CID 58207890) is methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate is COC(=O)Cc1cn2cc(-c3cn[nH]c3)cc(-c3ccccc3)c2n1.
What is the InChIKey of methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is COANLLCESWIWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-25-18(24)8-16-12-23-11-14(15-9-20-21-10-15)7-17(19(23)22-16)13-5-3-2-4-6-13/h2-7,9-12H,8H2,1H3,(H,20,21).
What are the key properties of methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate?
methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 332.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 58207890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).