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

C14H15N7 — CID 110257040

IUPAC3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1cc(N2CCC(c3[nH]nc4nccnc34)C2)ncn1
InChIInChI=1S/C14H15N7/c1-9-6-11(18-8-17-9)21-5-2-10(7-21)12-13-14(20-19-12)16-4-3-15-13/h3-4,6,8,10H,2,5,7H2,1H3,(H,16,19,20)
InChIKeyALFQAZRCJNGHMX-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.45
Rot. Bonds2

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

3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 110257040) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
PubChem CID110257040
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1cc(N2CCC(c3[nH]nc4nccnc34)C2)ncn1
InChIInChI=1S/C14H15N7/c1-9-6-11(18-8-17-9)21-5-2-10(7-21)12-13-14(20-19-12)16-4-3-15-13/h3-4,6,8,10H,2,5,7H2,1H3,(H,16,19,20)
InChIKeyALFQAZRCJNGHMX-UHFFFAOYSA-N
XLogP1.45
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.45
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)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 110257040) is 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is Cc1cc(N2CCC(c3[nH]nc4nccnc34)C2)ncn1.
What is the InChIKey of 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is ALFQAZRCJNGHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-9-6-11(18-8-17-9)21-5-2-10(7-21)12-13-14(20-19-12)16-4-3-15-13/h3-4,6,8,10H,2,5,7H2,1H3,(H,16,19,20).
What are the key properties of 3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
3-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 281.32 g/mol, XLogP of 1.45, 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)pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 110257040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).