prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C15H18N4O2 — CID 10446704

IUPACprop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESC=CCCn1ncc2c(N)c(C(=O)OCC=C)c(C)nc21
InChIInChI=1S/C15H18N4O2/c1-4-6-7-19-14-11(9-17-19)13(16)12(10(3)18-14)15(20)21-8-5-2/h4-5,9H,1-2,6-8H2,3H3,(H2,16,18)
InChIKeyPUZPJUBIUKUQBC-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.24
Rot. Bonds6

About prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate

prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10446704) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10446704
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameprop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESC=CCCn1ncc2c(N)c(C(=O)OCC=C)c(C)nc21
InChIInChI=1S/C15H18N4O2/c1-4-6-7-19-14-11(9-17-19)13(16)12(10(3)18-14)15(20)21-8-5-2/h4-5,9H,1-2,6-8H2,3H3,(H2,16,18)
InChIKeyPUZPJUBIUKUQBC-UHFFFAOYSA-N
XLogP2.24
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10446704) is prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is C=CCCn1ncc2c(N)c(C(=O)OCC=C)c(C)nc21.
What is the InChIKey of prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is PUZPJUBIUKUQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-6-7-19-14-11(9-17-19)13(16)12(10(3)18-14)15(20)21-8-5-2/h4-5,9H,1-2,6-8H2,3H3,(H2,16,18).
What are the key properties of prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 286.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-amino-1-but-3-enyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10446704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).