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

C18H20N4O3 — CID 11163604

IUPACethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1cccc(OC)c1
InChIInChI=1S/C18H20N4O3/c1-5-25-18(23)14-10-19-17-15(11(2)21-22(17)3)16(14)20-12-7-6-8-13(9-12)24-4/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyVNZARHHITCJKFQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.21
Rot. Bonds5

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

ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 11163604) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID11163604
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1cccc(OC)c1
InChIInChI=1S/C18H20N4O3/c1-5-25-18(23)14-10-19-17-15(11(2)21-22(17)3)16(14)20-12-7-6-8-13(9-12)24-4/h6-10H,5H2,1-4H3,(H,19,20)
InChIKeyVNZARHHITCJKFQ-UHFFFAOYSA-N
XLogP3.21
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 11476465
2-Methyl-7-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]chromen-4-one
CID 24882194
5-[2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775649
N-[2-(dimethylamino)ethyl]-4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]benzamide
CID 91299904
3-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]aniline
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CID 91461367
US9765058, Example 2-2-9
CID 86580571
N,N,1,3-tetramethyl-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 9893282
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CID 10697270
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 11163604) is ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1Nc1cccc(OC)c1.
What is the InChIKey of ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is VNZARHHITCJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-5-25-18(23)14-10-19-17-15(11(2)21-22(17)3)16(14)20-12-7-6-8-13(9-12)24-4/h6-10H,5H2,1-4H3,(H,19,20).
What are the key properties of ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxyanilino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 11163604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).