3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine

C15H15N5 — CID 95844854

IUPAC3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESc1cnc2n[nH]c(C3CN(Cc4ccncc4)C3)c2c1
InChIInChI=1S/C15H15N5/c1-2-13-14(18-19-15(13)17-5-1)12-9-20(10-12)8-11-3-6-16-7-4-11/h1-7,12H,8-10H2,(H,17,18,19)
InChIKeyYLYRTCAKQDEHSL-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.95
Rot. Bonds3

About 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine

3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 95844854) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID95844854
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine
SMILESc1cnc2n[nH]c(C3CN(Cc4ccncc4)C3)c2c1
InChIInChI=1S/C15H15N5/c1-2-13-14(18-19-15(13)17-5-1)12-9-20(10-12)8-11-3-6-16-7-4-11/h1-7,12H,8-10H2,(H,17,18,19)
InChIKeyYLYRTCAKQDEHSL-UHFFFAOYSA-N
XLogP1.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine (CID 95844854) is 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine is c1cnc2n[nH]c(C3CN(Cc4ccncc4)C3)c2c1.
What is the InChIKey of 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is YLYRTCAKQDEHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-13-14(18-19-15(13)17-5-1)12-9-20(10-12)8-11-3-6-16-7-4-11/h1-7,12H,8-10H2,(H,17,18,19).
What are the key properties of 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine?
3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 265.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 95844854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).