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

C18H20N4O3 — CID 44561080

IUPACethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1Nc1ccc(OC)cc1
InChIInChI=1S/C18H20N4O3/c1-4-22-17-14(11-20-22)16(15(10-19-17)18(23)25-5-2)21-12-6-8-13(24-3)9-7-12/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeySRGVQMZQMZJNRO-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.38
Rot. Bonds6

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

ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 44561080) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID44561080
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1Nc1ccc(OC)cc1
InChIInChI=1S/C18H20N4O3/c1-4-22-17-14(11-20-22)16(15(10-19-17)18(23)25-5-2)21-12-6-8-13(24-3)9-7-12/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeySRGVQMZQMZJNRO-UHFFFAOYSA-N
XLogP3.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 44561080) is ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2CC)c1Nc1ccc(OC)cc1.
What is the InChIKey of ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is SRGVQMZQMZJNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-22-17-14(11-20-22)16(15(10-19-17)18(23)25-5-2)21-12-6-8-13(24-3)9-7-12/h6-11H,4-5H2,1-3H3,(H,19,21).
What are the key properties of ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-(4-methoxyanilino)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 44561080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).