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

C15H15N5OS — CID 110234062

IUPAC[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(c2[nH]nc3nccnc23)C1
InChIInChI=1S/C15H15N5OS/c21-15(11-4-2-8-22-11)20-7-1-3-10(9-20)12-13-14(19-18-12)17-6-5-16-13/h2,4-6,8,10H,1,3,7,9H2,(H,17,18,19)
InChIKeyPLZMGPZLQBUPCT-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.43
Rot. Bonds2

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

[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110234062) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110234062
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(c2[nH]nc3nccnc23)C1
InChIInChI=1S/C15H15N5OS/c21-15(11-4-2-8-22-11)20-7-1-3-10(9-20)12-13-14(19-18-12)17-6-5-16-13/h2,4-6,8,10H,1,3,7,9H2,(H,17,18,19)
InChIKeyPLZMGPZLQBUPCT-UHFFFAOYSA-N
XLogP2.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 110234062) is [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC(c2[nH]nc3nccnc23)C1.
What is the InChIKey of [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PLZMGPZLQBUPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-15(11-4-2-8-22-11)20-7-1-3-10(9-20)12-13-14(19-18-12)17-6-5-16-13/h2,4-6,8,10H,1,3,7,9H2,(H,17,18,19).
What are the key properties of [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 313.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110234062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).