1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone

C15H21N5O — CID 166104571

IUPAC1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc3ncc(C(C)C)nc32)CC1
InChIInChI=1S/C15H21N5O/c1-10(2)13-8-16-14-9-17-20(15(14)18-13)12-4-6-19(7-5-12)11(3)21/h8-10,12H,4-7H2,1-3H3
InChIKeyWUKALIPDUNWHNI-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.13
Rot. Bonds2

About 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone

1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone (PubChem CID 166104571) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone
PubChem CID166104571
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2ncc3ncc(C(C)C)nc32)CC1
InChIInChI=1S/C15H21N5O/c1-10(2)13-8-16-14-9-17-20(15(14)18-13)12-4-6-19(7-5-12)11(3)21/h8-10,12H,4-7H2,1-3H3
InChIKeyWUKALIPDUNWHNI-UHFFFAOYSA-N
XLogP2.13
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone (CID 166104571) is 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(n2ncc3ncc(C(C)C)nc32)CC1.
What is the InChIKey of 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is WUKALIPDUNWHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)13-8-16-14-9-17-20(15(14)18-13)12-4-6-19(7-5-12)11(3)21/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone?
1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 287.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-propan-2-ylpyrazolo[3,4-b]pyrazin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 166104571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).