ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C15H20N4O2 — CID 1473448

IUPACethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2CC)c1NC1CC1
InChIInChI=1S/C15H20N4O2/c1-4-19-14-12(9(3)18-19)13(17-10-6-7-10)11(8-16-14)15(20)21-5-2/h8,10H,4-7H2,1-3H3,(H,16,17)
InChIKeyAICBJKJQMWCWIV-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.51
Rot. Bonds5

About ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 1473448) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID1473448
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2CC)c1NC1CC1
InChIInChI=1S/C15H20N4O2/c1-4-19-14-12(9(3)18-19)13(17-10-6-7-10)11(8-16-14)15(20)21-5-2/h8,10H,4-7H2,1-3H3,(H,16,17)
InChIKeyAICBJKJQMWCWIV-UHFFFAOYSA-N
XLogP2.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 1473448) is ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2CC)c1NC1CC1.
What is the InChIKey of ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is AICBJKJQMWCWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-19-14-12(9(3)18-19)13(17-10-6-7-10)11(8-16-14)15(20)21-5-2/h8,10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropylamino)-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 1473448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).