ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

C20H20N4O3 — CID 2346899

IUPACethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2CCC#N
InChIInChI=1S/C20H20N4O3/c1-4-27-20(25)16-12-17(14-6-8-15(26-3)9-7-14)22-19-18(16)13(2)23-24(19)11-5-10-21/h6-9,12H,4-5,11H2,1-3H3
InChIKeyZRNZUXLLXPVUIP-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.51
Rot. Bonds6

About ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 2346899) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID2346899
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2CCC#N
InChIInChI=1S/C20H20N4O3/c1-4-27-20(25)16-12-17(14-6-8-15(26-3)9-7-14)22-19-18(16)13(2)23-24(19)11-5-10-21/h6-9,12H,4-5,11H2,1-3H3
InChIKeyZRNZUXLLXPVUIP-UHFFFAOYSA-N
XLogP3.51
TPSA90.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-ethyl-6-(3-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585703
ethyl 6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 2346898
ethyl 2-[4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetate
CID 19497159
[2-(diethylamino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46509351
[2-(4-methylphenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23879160
ethyl 6-(furan-2-yl)-3-methyl-1-[(4-phenoxyphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 118423479
[2-oxo-2-(4-phenylphenyl)ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 23937902
methyl 3-methyl-1-[(4-methylphenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247937
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
ethyl 6-(4-methoxyphenyl)-3-oxo-2-[(E)-3-phenylprop-2-enyl]pyridazine-4-carboxylate
CID 22452273
methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585747

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 2346899) is ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2CCC#N.
What is the InChIKey of ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is ZRNZUXLLXPVUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-27-20(25)16-12-17(14-6-8-15(26-3)9-7-14)22-19-18(16)13(2)23-24(19)11-5-10-21/h6-9,12H,4-5,11H2,1-3H3.
What are the key properties of ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyanoethyl)-6-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 2346899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).