methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate

C13H14N2O3 — CID 59192045

IUPACmethyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate
SMILESCCc1ccn2nc(C)c(C(=O)C(=O)OC)c2c1
InChIInChI=1S/C13H14N2O3/c1-4-9-5-6-15-10(7-9)11(8(2)14-15)12(16)13(17)18-3/h5-7H,4H2,1-3H3
InChIKeyMMLKYYHCRHNKHO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.56
Rot. Bonds3

About methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate

methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate (PubChem CID 59192045) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate
PubChem CID59192045
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate
SMILESCCc1ccn2nc(C)c(C(=O)C(=O)OC)c2c1
InChIInChI=1S/C13H14N2O3/c1-4-9-5-6-15-10(7-9)11(8(2)14-15)12(16)13(17)18-3/h5-7H,4H2,1-3H3
InChIKeyMMLKYYHCRHNKHO-UHFFFAOYSA-N
XLogP1.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

CID 3671
CID 3671
CID 2795462
CID 2795462
CID 2795464
CID 2795464
CID 146826
CID 146826
CID 2794621
CID 2794621
CID 12872295
CID 12872295
CID 123725403
CID 123725403
CID 137634765
CID 137634765
CID 137642480
CID 137642480
CID 137658202
CID 137658202
CID 20673360
CID 20673360
CID 71284143
CID 71284143

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate (CID 59192045) is methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate is CCc1ccn2nc(C)c(C(=O)C(=O)OC)c2c1.
What is the InChIKey of methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate?
The InChIKey is MMLKYYHCRHNKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-4-9-5-6-15-10(7-9)11(8(2)14-15)12(16)13(17)18-3/h5-7H,4H2,1-3H3.
What are the key properties of methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate?
methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate has a molecular weight of 246.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethyl-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-oxoacetate is sourced from PubChem (CID 59192045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).