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

C14H14N6OS — CID 95811502

IUPAC[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(c2[nH]nc3nccnc23)CC1
InChIInChI=1S/C14H14N6OS/c21-14(10-7-22-8-17-10)20-5-1-9(2-6-20)11-12-13(19-18-11)16-4-3-15-12/h3-4,7-9H,1-2,5-6H2,(H,16,18,19)
InChIKeyFDXOSJZDURHBTP-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.83
Rot. Bonds2

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

[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95811502) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95811502
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name[4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(c2[nH]nc3nccnc23)CC1
InChIInChI=1S/C14H14N6OS/c21-14(10-7-22-8-17-10)20-5-1-9(2-6-20)11-12-13(19-18-11)16-4-3-15-12/h3-4,7-9H,1-2,5-6H2,(H,16,18,19)
InChIKeyFDXOSJZDURHBTP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95811502) is [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC(c2[nH]nc3nccnc23)CC1.
What is the InChIKey of [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is FDXOSJZDURHBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-14(10-7-22-8-17-10)20-5-1-9(2-6-20)11-12-13(19-18-11)16-4-3-15-12/h3-4,7-9H,1-2,5-6H2,(H,16,18,19).
What are the key properties of [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-(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 [4-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95811502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).