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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Related Compounds

(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 95811515
1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone
CID 124973264
3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine
CID 95844854
7-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92610698
3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride
CID 171687240
[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167808185
[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-[2-[(1-methylcyclopropyl)methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 139397940
1-[[4-(3-fluoroazetidine-1-carbonyl)-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 121426677
N-(cyclopropylmethyl)-4-methoxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 145103344
2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110234073
1-[[4-butanoyl-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
CID 157092373
(3,3-difluoropyrrolidin-1-yl)-[2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanone
CID 121409628

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).