prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C17H15N3O3 — CID 146084326

IUPACprop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESC#CCOC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
InChIInChI=1S/C17H15N3O3/c1-4-7-23-17(21)12-9-14(15-6-5-8-22-15)19-16-13(12)10-18-20(16)11(2)3/h1,5-6,8-11H,7H2,2-3H3
InChIKeyVZFXPLNBOKJVJG-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.06
Rot. Bonds4

About prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 146084326) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameprop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID146084326
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Nameprop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESC#CCOC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
InChIInChI=1S/C17H15N3O3/c1-4-7-23-17(21)12-9-14(15-6-5-8-22-15)19-16-13(12)10-18-20(16)11(2)3/h1,5-6,8-11H,7H2,2-3H3
InChIKeyVZFXPLNBOKJVJG-UHFFFAOYSA-N
XLogP3.06
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 37260985
N-ethoxy-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46536338
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 41404505
N-[3-(aminomethyl)pentan-3-yl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119571803
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46676564
N-(3-amino-2-methylpropyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119996921
methyl 2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]-2-methylpropanoate
CID 30875618
2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]acetic acid
CID 119346529
[1-(2-chloroanilino)-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46676720
(2-methoxy-4-methoxycarbonylphenyl) 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 18131246
N-(2-benzamidoethyl)-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 38206296
N-[2-(ethylamino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86914644

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 146084326) is prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is C#CCOC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.
What is the InChIKey of prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is VZFXPLNBOKJVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-4-7-23-17(21)12-9-14(15-6-5-8-22-15)19-16-13(12)10-18-20(16)11(2)3/h1,5-6,8-11H,7H2,2-3H3.
What are the key properties of prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 146084326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).