ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C14H20N4O2 — CID 10446156

IUPACethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21
InChIInChI=1S/C14H20N4O2/c1-4-6-7-18-13-10(8-16-18)12(15)11(9(3)17-13)14(19)20-5-2/h8H,4-7H2,1-3H3,(H2,15,17)
InChIKeyQLLGVMHGZUCYKH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.30
Rot. Bonds5

About ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10446156) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10446156
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21
InChIInChI=1S/C14H20N4O2/c1-4-6-7-18-13-10(8-16-18)12(15)11(9(3)17-13)14(19)20-5-2/h8H,4-7H2,1-3H3,(H2,15,17)
InChIKeyQLLGVMHGZUCYKH-UHFFFAOYSA-N
XLogP2.30
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10446156) is ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21.
What is the InChIKey of ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is QLLGVMHGZUCYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-6-7-18-13-10(8-16-18)12(15)11(9(3)17-13)14(19)20-5-2/h8H,4-7H2,1-3H3,(H2,15,17).
What are the key properties of ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-butyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10446156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).