1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C20H19N5O3 — CID 18158193

IUPAC1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCC(OC(=O)c1cnc2c(cnn2C(C)C)c1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H19N5O3/c1-12(2)25-17-15(11-22-25)9-16(10-21-17)20(26)27-13(3)18-23-24-19(28-18)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyVDIINFWKFDWACN-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.98
Rot. Bonds5

About 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 18158193) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID18158193
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCC(OC(=O)c1cnc2c(cnn2C(C)C)c1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H19N5O3/c1-12(2)25-17-15(11-22-25)9-16(10-21-17)20(26)27-13(3)18-23-24-19(28-18)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyVDIINFWKFDWACN-UHFFFAOYSA-N
XLogP3.98
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 8873119
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,5-dimethoxybenzoate
CID 8872478
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3,4,5-trimethoxybenzoate
CID 8870596
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31012513
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-methoxybenzoate
CID 18196876
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] pyridine-2-carboxylate
CID 8860436
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 4-(methoxymethyl)benzoate
CID 7627264
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] naphthalene-2-carboxylate
CID 9416628
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 4-pyrazol-1-ylbenzoate
CID 18197100
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 42932709
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55459805
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(dimethylamino)benzoate
CID 7593516

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 18158193) is 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CC(OC(=O)c1cnc2c(cnn2C(C)C)c1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is VDIINFWKFDWACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-12(2)25-17-15(11-22-25)9-16(10-21-17)20(26)27-13(3)18-23-24-19(28-18)14-7-5-4-6-8-14/h4-13H,1-3H3.
What are the key properties of 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 18158193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).