ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate

C15H15N3O2 — CID 102144493

IUPACethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c1cc(C)c1cccnc12
InChIInChI=1S/C15H15N3O2/c1-4-20-15(19)13-10(3)17-18-12(13)8-9(2)11-6-5-7-16-14(11)18/h5-8H,4H2,1-3H3
InChIKeyXPLVGLSFOYLGSU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.68
Rot. Bonds2

About ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate

ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate (PubChem CID 102144493) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
PubChem CID102144493
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Nameethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c1cc(C)c1cccnc12
InChIInChI=1S/C15H15N3O2/c1-4-20-15(19)13-10(3)17-18-12(13)8-9(2)11-6-5-7-16-14(11)18/h5-8H,4H2,1-3H3
InChIKeyXPLVGLSFOYLGSU-UHFFFAOYSA-N
XLogP2.68
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate
CID 102144497
ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54710474
ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
ethyl pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 10610124
ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate
CID 11358368
ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethane;ethyl 2-methyl-1-[(4-oxocyclohexyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxylate
CID 142589918
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
CID 54210099
ethyl 1-(3-bromo-2-pyridinyl)-5-ethyl-3-methylpyrazole-4-carboxylate
CID 150265683
diethyl 1-hydroxypyrrolo[3,2-b]pyridine-2,3-dicarboxylate
CID 19977741

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate (CID 102144493) is ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate is CCOC(=O)c1c(C)nn2c1cc(C)c1cccnc12.
What is the InChIKey of ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate?
The InChIKey is XPLVGLSFOYLGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-4-20-15(19)13-10(3)17-18-12(13)8-9(2)11-6-5-7-16-14(11)18/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate?
ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate is sourced from PubChem (CID 102144493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).