methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate

C13H14N2O5 — CID 163230745

IUPACmethyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)Cc1nn2cccc(CO)c2c1C(=O)OC
InChIInChI=1S/C13H14N2O5/c1-19-10(17)6-9-11(13(18)20-2)12-8(7-16)4-3-5-15(12)14-9/h3-5,16H,6-7H2,1-2H3
InChIKeyFESDZEYLQDVODJ-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.33
Rot. Bonds4

About methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 163230745) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID163230745
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Namemethyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)Cc1nn2cccc(CO)c2c1C(=O)OC
InChIInChI=1S/C13H14N2O5/c1-19-10(17)6-9-11(13(18)20-2)12-8(7-16)4-3-5-15(12)14-9/h3-5,16H,6-7H2,1-2H3
InChIKeyFESDZEYLQDVODJ-UHFFFAOYSA-N
XLogP0.33
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 58014043
methyl 2-[4-(hydroxymethyl)pyrazolo[1,5-a]pyridin-2-yl]acetate
CID 167021191
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
[3-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanol
CID 162554792
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate
CID 126586374
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-bromopyrazolo[1,5-a]pyridine-3-carboxylate
CID 131527386
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
dimethyl anthracene-9,10-dicarboxylate
CID 139057809

Frequently Asked Questions

What is the IUPAC name of methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 163230745) is methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)Cc1nn2cccc(CO)c2c1C(=O)OC.
What is the InChIKey of methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is FESDZEYLQDVODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-19-10(17)6-9-11(13(18)20-2)12-8(7-16)4-3-5-15(12)14-9/h3-5,16H,6-7H2,1-2H3.
What are the key properties of methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 163230745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).