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

C15H17N7 — CID 95824299

IUPAC3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1cc(N2CCC(c3[nH]nc4nccnc34)CC2)ncn1
InChIInChI=1S/C15H17N7/c1-10-8-12(19-9-18-10)22-6-2-11(3-7-22)13-14-15(21-20-13)17-5-4-16-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,17,20,21)
InChIKeyMZAGMTDWEWIKBK-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.84
Rot. Bonds2

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

3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 95824299) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine
PubChem CID95824299
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1cc(N2CCC(c3[nH]nc4nccnc34)CC2)ncn1
InChIInChI=1S/C15H17N7/c1-10-8-12(19-9-18-10)22-6-2-11(3-7-22)13-14-15(21-20-13)17-5-4-16-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,17,20,21)
InChIKeyMZAGMTDWEWIKBK-UHFFFAOYSA-N
XLogP1.84
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 95824299) is 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine is Cc1cc(N2CCC(c3[nH]nc4nccnc34)CC2)ncn1.
What is the InChIKey of 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is MZAGMTDWEWIKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-10-8-12(19-9-18-10)22-6-2-11(3-7-22)13-14-15(21-20-13)17-5-4-16-14/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,17,20,21).
What are the key properties of 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine?
3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 295.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 95824299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).