2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone

C12H14N4O2 — CID 125008304

IUPAC2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CO)N1CC[C@@H](c2[nH]nc3ncccc23)C1
InChIInChI=1S/C12H14N4O2/c17-7-10(18)16-5-3-8(6-16)11-9-2-1-4-13-12(9)15-14-11/h1-2,4,8,17H,3,5-7H2,(H,13,14,15)/t8-/m1/s1
InChIKeyUUCVZZKAXZUVCQ-MRVPVSSYSA-N
MW246.27 g/mol
LogP0.27
Rot. Bonds2

About 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone

2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 125008304) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID125008304
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CO)N1CC[C@@H](c2[nH]nc3ncccc23)C1
InChIInChI=1S/C12H14N4O2/c17-7-10(18)16-5-3-8(6-16)11-9-2-1-4-13-12(9)15-14-11/h1-2,4,8,17H,3,5-7H2,(H,13,14,15)/t8-/m1/s1
InChIKeyUUCVZZKAXZUVCQ-MRVPVSSYSA-N
XLogP0.27
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone (CID 125008304) is 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone is O=C(CO)N1CC[C@@H](c2[nH]nc3ncccc23)C1.
What is the InChIKey of 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is UUCVZZKAXZUVCQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-7-10(18)16-5-3-8(6-16)11-9-2-1-4-13-12(9)15-14-11/h1-2,4,8,17H,3,5-7H2,(H,13,14,15)/t8-/m1/s1.
What are the key properties of 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone?
2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 246.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125008304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).