[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine

C15H15FN6 — CID 67949944

IUPAC[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine
SMILESNCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1
InChIInChI=1S/C15H15FN6/c16-11-3-4-12(22-7-9(6-17)8-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13/h1-5,9H,6-8,17H2,(H,18,20,21)
InChIKeyOLKILECOLGECTO-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.55
Rot. Bonds3

About [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine

[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine (PubChem CID 67949944) has the molecular formula C15H15FN6 and a molecular weight of 298.32 g/mol. Its IUPAC name is [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine
PubChem CID67949944
Molecular FormulaC15H15FN6
Molecular Weight298.32 g/mol
Exact Mass298.13
IUPAC Name[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine
SMILESNCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1
InChIInChI=1S/C15H15FN6/c16-11-3-4-12(22-7-9(6-17)8-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13/h1-5,9H,6-8,17H2,(H,18,20,21)
InChIKeyOLKILECOLGECTO-UHFFFAOYSA-N
XLogP1.55
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine?
The IUPAC name of [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine (CID 67949944) is [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine?
The canonical SMILES for [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine is NCC1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.
What is the InChIKey of [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine?
The InChIKey is OLKILECOLGECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6/c16-11-3-4-12(22-7-9(6-17)8-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13/h1-5,9H,6-8,17H2,(H,18,20,21).
What are the key properties of [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine?
[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine has a molecular weight of 298.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine is sourced from PubChem (CID 67949944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).