ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate

C17H24N4O3 — CID 44561082

IUPACethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1N(C)C1CCOCC1
InChIInChI=1S/C17H24N4O3/c1-4-21-16-13(11-19-21)15(14(10-18-16)17(22)24-5-2)20(3)12-6-8-23-9-7-12/h10-12H,4-9H2,1-3H3
InChIKeyJXEBIPKDQUARND-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.24
Rot. Bonds5

About ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 44561082) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID44561082
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2CC)c1N(C)C1CCOCC1
InChIInChI=1S/C17H24N4O3/c1-4-21-16-13(11-19-21)15(14(10-18-16)17(22)24-5-2)20(3)12-6-8-23-9-7-12/h10-12H,4-9H2,1-3H3
InChIKeyJXEBIPKDQUARND-UHFFFAOYSA-N
XLogP2.24
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate (CID 44561082) is ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2CC)c1N(C)C1CCOCC1.
What is the InChIKey of ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is JXEBIPKDQUARND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-21-16-13(11-19-21)15(14(10-18-16)17(22)24-5-2)20(3)12-6-8-23-9-7-12/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-[methyl(oxan-4-yl)amino]pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 44561082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).