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

C20H24N4O2 — CID 10428093

IUPACbenzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OCc3ccccc3)c(C)nc21
InChIInChI=1S/C20H24N4O2/c1-3-4-8-11-24-19-16(12-22-24)18(21)17(14(2)23-19)20(25)26-13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13H2,1-2H3,(H2,21,23)
InChIKeyJGNJHYRDIJVELU-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.87
Rot. Bonds7

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

benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10428093) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10428093
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Namebenzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OCc3ccccc3)c(C)nc21
InChIInChI=1S/C20H24N4O2/c1-3-4-8-11-24-19-16(12-22-24)18(21)17(14(2)23-19)20(25)26-13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13H2,1-2H3,(H2,21,23)
InChIKeyJGNJHYRDIJVELU-UHFFFAOYSA-N
XLogP3.87
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.87
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 benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10428093) is benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCCCn1ncc2c(N)c(C(=O)OCc3ccccc3)c(C)nc21.
What is the InChIKey of benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is JGNJHYRDIJVELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-4-8-11-24-19-16(12-22-24)18(21)17(14(2)23-19)20(25)26-13-15-9-6-5-7-10-15/h5-7,9-10,12H,3-4,8,11,13H2,1-2H3,(H2,21,23).
What are the key properties of benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10428093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).