ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C18H16N4O3 — CID 2820919

IUPACethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C18H16N4O3/c1-4-24-18(23)14-10-20-17-15(11(2)21-22(17)3)16(14)25-13-7-5-12(9-19)6-8-13/h5-8,10H,4H2,1-3H3
InChIKeyAPVMVEFXCZMSOP-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.12
Rot. Bonds4

About ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 2820919) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID2820919
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Nameethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C18H16N4O3/c1-4-24-18(23)14-10-20-17-15(11(2)21-22(17)3)16(14)25-13-7-5-12(9-19)6-8-13/h5-8,10H,4H2,1-3H3
InChIKeyAPVMVEFXCZMSOP-UHFFFAOYSA-N
XLogP3.12
TPSA90.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175
1,3-dimethyl-4-(1-methylpyrazol-4-yl)oxypyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 116792570
ethyl 4-[(1-ethylpiperidin-4-yl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133466163
ethyl 1,3-dimethyl-4-[[(E)-pent-3-enyl]amino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458162
ethyl 1,3-dimethyl-4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133442604
ethyl 1,3-dimethyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2821417
1,3-dimethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 106596785
ethyl 5-cyano-2-methylpyridine-3-carboxylate
CID 14898892
ethyl 1,3-dimethyl-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133442414
4-hexoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937445
1,3-dimethyl-4-(2-methylbutan-2-yloxy)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937444
ethyl 4-[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 133458144

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 2820919) is ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(C#N)cc1.
What is the InChIKey of ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is APVMVEFXCZMSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-4-24-18(23)14-10-20-17-15(11(2)21-22(17)3)16(14)25-13-7-5-12(9-19)6-8-13/h5-8,10H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyanophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 2820919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).