3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

C16H19N7 — CID 110259066

IUPAC3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1cc(C)nc(N2CCCC(c3[nH]nc4nccnc34)C2)n1
InChIInChI=1S/C16H19N7/c1-10-8-11(2)20-16(19-10)23-7-3-4-12(9-23)13-14-15(22-21-13)18-6-5-17-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,21,22)
InChIKeyDVNQJMKLLVHIJP-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.14
Rot. Bonds2

About 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 110259066) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
PubChem CID110259066
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1cc(C)nc(N2CCCC(c3[nH]nc4nccnc34)C2)n1
InChIInChI=1S/C16H19N7/c1-10-8-11(2)20-16(19-10)23-7-3-4-12(9-23)13-14-15(22-21-13)18-6-5-17-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,21,22)
InChIKeyDVNQJMKLLVHIJP-UHFFFAOYSA-N
XLogP2.14
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 110259066) is 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is Cc1cc(C)nc(N2CCCC(c3[nH]nc4nccnc34)C2)n1.
What is the InChIKey of 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is DVNQJMKLLVHIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-10-8-11(2)20-16(19-10)23-7-3-4-12(9-23)13-14-15(22-21-13)18-6-5-17-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,18,21,22).
What are the key properties of 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 309.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110259066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).