1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone

C17H22N6O2 — CID 124973264

IUPAC1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C)[C@@H](C(=O)N2CC(c3[nH]nc4ncccc34)C2)C1
InChIInChI=1S/C17H22N6O2/c1-11(24)22-7-6-21(2)14(10-22)17(25)23-8-12(9-23)15-13-4-3-5-18-16(13)20-19-15/h3-5,12,14H,6-10H2,1-2H3,(H,18,19,20)/t14-/m1/s1
InChIKeyKIXRBUYLEVWJSP-CQSZACIVSA-N
MW342.40 g/mol
LogP0.05
Rot. Bonds2

About 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone

1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone (PubChem CID 124973264) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone
PubChem CID124973264
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C)[C@@H](C(=O)N2CC(c3[nH]nc4ncccc34)C2)C1
InChIInChI=1S/C17H22N6O2/c1-11(24)22-7-6-21(2)14(10-22)17(25)23-8-12(9-23)15-13-4-3-5-18-16(13)20-19-15/h3-5,12,14H,6-10H2,1-2H3,(H,18,19,20)/t14-/m1/s1
InChIKeyKIXRBUYLEVWJSP-CQSZACIVSA-N
XLogP0.05
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 125008304
(1-methylpyrazol-4-yl)-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 95811515
1-[(3S)-3-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-4-methylpiperazin-1-yl]ethanone
CID 95827555
3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine
CID 95844854
[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone
CID 167808185
3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride
CID 171687240
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
(E)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-phenyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-2-enamide
CID 56602767
[(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
(3R,6S)-1-acetyl-6-amino-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)azepane-3-carboxamide
CID 165417779
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
1-[(3R)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124999663

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone (CID 124973264) is 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C)[C@@H](C(=O)N2CC(c3[nH]nc4ncccc34)C2)C1.
What is the InChIKey of 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is KIXRBUYLEVWJSP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(24)22-7-6-21(2)14(10-22)17(25)23-8-12(9-23)15-13-4-3-5-18-16(13)20-19-15/h3-5,12,14H,6-10H2,1-2H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone?
1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 342.40 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-methyl-3-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)azetidine-1-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124973264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).