ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate

C22H24ClN3O5 — CID 91297946

IUPACethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=Nc2c(cnn2C(=O)COC(C)=O)C(c2ccccc2Cl)C1C(=O)OCC
InChIInChI=1S/C22H24ClN3O5/c1-4-8-17-20(22(29)30-5-2)19(14-9-6-7-10-16(14)23)15-11-24-26(21(15)25-17)18(28)12-31-13(3)27/h6-7,9-11,19-20H,4-5,8,12H2,1-3H3
InChIKeyJSLWCLJGMKGQTD-UHFFFAOYSA-N
MW445.90 g/mol
LogP3.94
Rot. Bonds7

About ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 91297946) has the molecular formula C22H24ClN3O5 and a molecular weight of 445.90 g/mol. Its IUPAC name is ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID91297946
Molecular FormulaC22H24ClN3O5
Molecular Weight445.90 g/mol
Exact Mass445.14
IUPAC Nameethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCC1=Nc2c(cnn2C(=O)COC(C)=O)C(c2ccccc2Cl)C1C(=O)OCC
InChIInChI=1S/C22H24ClN3O5/c1-4-8-17-20(22(29)30-5-2)19(14-9-6-7-10-16(14)23)15-11-24-26(21(15)25-17)18(28)12-31-13(3)27/h6-7,9-11,19-20H,4-5,8,12H2,1-3H3
InChIKeyJSLWCLJGMKGQTD-UHFFFAOYSA-N
XLogP3.94
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 135584073
ethyl 4-(2-chlorophenyl)-3-methyl-6-propyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 91391062
ethyl 4-(2,6-dichlorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90809353
ethyl 4-(2-ethylphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91245570
ethyl 4-(2-fluorophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91273068
ethyl 4-(2-nitrophenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90999871
ethyl 4-(2-chlorophenyl)-6-formyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91388299
ethyl 4-(3-fluoro-2-methylphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90752793
(2-acetyloxyacetyl) 4-(2-chlorophenyl)-7-ethyl-6-propyl-1,4-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
CID 91119011
ethyl 4-(2-chlorophenyl)-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CID 2841396
ethyl 4-(2,5-dimethoxyphenyl)-6-propyl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 91206556
ethyl 6-propyl-4-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 90986540

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate (CID 91297946) is ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate is CCCC1=Nc2c(cnn2C(=O)COC(C)=O)C(c2ccccc2Cl)C1C(=O)OCC.
What is the InChIKey of ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is JSLWCLJGMKGQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O5/c1-4-8-17-20(22(29)30-5-2)19(14-9-6-7-10-16(14)23)15-11-24-26(21(15)25-17)18(28)12-31-13(3)27/h6-7,9-11,19-20H,4-5,8,12H2,1-3H3.
What are the key properties of ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 445.90 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-acetyloxyacetyl)-4-(2-chlorophenyl)-6-propyl-4,5-dihydropyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 91297946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).