ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate

C24H28N4O4 — CID 159034077

IUPACethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2ccc(C)cc12.[2H]c1c(C)cc2c(C(=O)OCC)c(C([2H])([2H])[2H])nn2c1[2H]
InChIInChI=1S/2C12H14N2O2/c2*1-4-16-12(15)11-9(3)13-14-6-5-8(2)7-10(11)14/h2*5-7H,4H2,1-3H3/i3D3,5D,6D;
InChIKeyJVFXFGRCESBBIO-JLSIZYSUSA-N
MW441.54 g/mol
LogP4.26
Rot. Bonds5

About ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 159034077) has the molecular formula C24H28N4O4 and a molecular weight of 441.54 g/mol. Its IUPAC name is ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID159034077
Molecular FormulaC24H28N4O4
Molecular Weight441.54 g/mol
Exact Mass441.24
IUPAC Nameethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2ccc(C)cc12.[2H]c1c(C)cc2c(C(=O)OCC)c(C([2H])([2H])[2H])nn2c1[2H]
InChIInChI=1S/2C12H14N2O2/c2*1-4-16-12(15)11-9(3)13-14-6-5-8(2)7-10(11)14/h2*5-7H,4H2,1-3H3/i3D3,5D,6D;
InChIKeyJVFXFGRCESBBIO-JLSIZYSUSA-N
XLogP4.26
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
ethyl 1-phenyl-5-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 20855126
Dimethyl pyrazolo(1,5-a)pyridine-2,3-dicarboxylate
CID 2794621
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
Ethyl 1-phenyl-3-pyridin-4-ylpyrazole-4-carboxylate
CID 2121566
Ethyl 4-[1-(pyridin-2-ylmethyl)indazol-3-yl]benzoate
CID 44451921
Pyrazolo[1,5-a]pyridine-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19770958
[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-[1-(2-fluoroethyl)pyrazol-4-yl]indole-3-carboxylate
CID 89927913
US10125145, Cpd. No. 18
CID 89927915
[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927947

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate (CID 159034077) is ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nn2ccc(C)cc12.[2H]c1c(C)cc2c(C(=O)OCC)c(C([2H])([2H])[2H])nn2c1[2H].
What is the InChIKey of ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is JVFXFGRCESBBIO-JLSIZYSUSA-N. The full InChI is InChI=1S/2C12H14N2O2/c2*1-4-16-12(15)11-9(3)13-14-6-5-8(2)7-10(11)14/h2*5-7H,4H2,1-3H3/i3D3,5D,6D;.
What are the key properties of ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 441.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 159034077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).