ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate

C15H22N4O2 — CID 14590501

IUPACethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21
InChIInChI=1S/C15H22N4O2/c1-4-6-7-8-19-14-11(9-17-19)13(16)12(10(3)18-14)15(20)21-5-2/h9H,4-8H2,1-3H3,(H2,16,18)
InChIKeyDWABNGDOYWYEMP-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.69
Rot. Bonds6

About ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 14590501) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID14590501
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nameethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21
InChIInChI=1S/C15H22N4O2/c1-4-6-7-8-19-14-11(9-17-19)13(16)12(10(3)18-14)15(20)21-5-2/h9H,4-8H2,1-3H3,(H2,16,18)
InChIKeyDWABNGDOYWYEMP-UHFFFAOYSA-N
XLogP2.69
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 14590501) is ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21.
What is the InChIKey of ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is DWABNGDOYWYEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-6-7-8-19-14-11(9-17-19)13(16)12(10(3)18-14)15(20)21-5-2/h9H,4-8H2,1-3H3,(H2,16,18).
What are the key properties of ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 14590501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).