(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C22H24N4O3 — CID 42932709

IUPAC(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCC(C)n1ncc2cc(C(=O)OC(C(=O)N3CCCC3)c3ccccc3)cnc21
InChIInChI=1S/C22H24N4O3/c1-15(2)26-20-17(14-24-26)12-18(13-23-20)22(28)29-19(16-8-4-3-5-9-16)21(27)25-10-6-7-11-25/h3-5,8-9,12-15,19H,6-7,10-11H2,1-2H3
InChIKeyNEEKYHKUNJOQCW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.53
Rot. Bonds5

About (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 42932709) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID42932709
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCC(C)n1ncc2cc(C(=O)OC(C(=O)N3CCCC3)c3ccccc3)cnc21
InChIInChI=1S/C22H24N4O3/c1-15(2)26-20-17(14-24-26)12-18(13-23-20)22(28)29-19(16-8-4-3-5-9-16)21(27)25-10-6-7-11-25/h3-5,8-9,12-15,19H,6-7,10-11H2,1-2H3
InChIKeyNEEKYHKUNJOQCW-UHFFFAOYSA-N
XLogP3.53
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 46687640
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55537135
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18158193
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
CID 9412619
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7704107
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054
(4-bromophenyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 24585688
(3-iodophenyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 16581609

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 42932709) is (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is CC(C)n1ncc2cc(C(=O)OC(C(=O)N3CCCC3)c3ccccc3)cnc21.
What is the InChIKey of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is NEEKYHKUNJOQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(2)26-20-17(14-24-26)12-18(13-23-20)22(28)29-19(16-8-4-3-5-9-16)21(27)25-10-6-7-11-25/h3-5,8-9,12-15,19H,6-7,10-11H2,1-2H3.
What are the key properties of (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 42932709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).