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

C14H16N4O2 — CID 10355880

IUPACprop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESC=CCOC(=O)c1c(C)nc2c(cnn2CC=C)c1N
InChIInChI=1S/C14H16N4O2/c1-4-6-18-13-10(8-16-18)12(15)11(9(3)17-13)14(19)20-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H2,15,17)
InChIKeySUDUBTCRAPMYCH-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.85
Rot. Bonds5

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

prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10355880) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10355880
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameprop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESC=CCOC(=O)c1c(C)nc2c(cnn2CC=C)c1N
InChIInChI=1S/C14H16N4O2/c1-4-6-18-13-10(8-16-18)12(15)11(9(3)17-13)14(19)20-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H2,15,17)
InChIKeySUDUBTCRAPMYCH-UHFFFAOYSA-N
XLogP1.85
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.85
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-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10355880) is prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate is C=CCOC(=O)c1c(C)nc2c(cnn2CC=C)c1N.
What is the InChIKey of prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is SUDUBTCRAPMYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-4-6-18-13-10(8-16-18)12(15)11(9(3)17-13)14(19)20-7-5-2/h4-5,8H,1-2,6-7H2,3H3,(H2,15,17).
What are the key properties of prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate?
prop-2-enyl 4-amino-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 272.31 g/mol, XLogP of 1.85, 5 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-6-methyl-1-prop-2-enylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10355880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).