[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C14H14N6OS — CID 95811508

IUPAC[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC[C@H](c2[nH]nc3nccnc23)C1
InChIInChI=1S/C14H14N6OS/c21-14(10-7-22-8-17-10)20-5-1-2-9(6-20)11-12-13(19-18-11)16-4-3-15-12/h3-4,7-9H,1-2,5-6H2,(H,16,18,19)/t9-/m0/s1
InChIKeyPJRLYDFHYNKISC-VIFPVBQESA-N
MW314.37 g/mol
LogP1.83
Rot. Bonds2

About [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95811508) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95811508
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC[C@H](c2[nH]nc3nccnc23)C1
InChIInChI=1S/C14H14N6OS/c21-14(10-7-22-8-17-10)20-5-1-2-9(6-20)11-12-13(19-18-11)16-4-3-15-12/h3-4,7-9H,1-2,5-6H2,(H,16,18,19)/t9-/m0/s1
InChIKeyPJRLYDFHYNKISC-VIFPVBQESA-N
XLogP1.83
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-Methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845535
1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 110234084
1,3-Thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 16670869
1,3-Thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 16670087
[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 95853408
[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110234062
2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
CID 5152043
2-benzyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
CID 86843498
1,3-thiazol-4-yl-[(3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 92417976
1,3-thiazol-4-yl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 92417977
1-[(3R)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 92433214
1-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 92433215

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95811508) is [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC[C@H](c2[nH]nc3nccnc23)C1.
What is the InChIKey of [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is PJRLYDFHYNKISC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14N6OS/c21-14(10-7-22-8-17-10)20-5-1-2-9(6-20)11-12-13(19-18-11)16-4-3-15-12/h3-4,7-9H,1-2,5-6H2,(H,16,18,19)/t9-/m0/s1.
What are the key properties of [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 314.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95811508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).