3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol

C18H19FN6O2 — CID 67949814

IUPAC3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
SMILESOC1(C2CN(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)COC1
InChIInChI=1S/C18H19FN6O2/c19-12-3-4-14(25-7-6-20-13(8-25)18(26)9-27-10-18)22-16(12)15-11-2-1-5-21-17(11)24-23-15/h1-5,13,20,26H,6-10H2,(H,21,23,24)
InChIKeyMVXDUJFPPHSXAH-UHFFFAOYSA-N
MW370.39 g/mol
LogP0.70
Rot. Bonds3

About 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol

3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol (PubChem CID 67949814) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol.

Molecular Properties

Compound Name3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
PubChem CID67949814
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
SMILESOC1(C2CN(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)COC1
InChIInChI=1S/C18H19FN6O2/c19-12-3-4-14(25-7-6-20-13(8-25)18(26)9-27-10-18)22-16(12)15-11-2-1-5-21-17(11)24-23-15/h1-5,13,20,26H,6-10H2,(H,21,23,24)
InChIKeyMVXDUJFPPHSXAH-UHFFFAOYSA-N
XLogP0.70
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol?
The IUPAC name of 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol (CID 67949814) is 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol.
What is the SMILES notation for 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol?
The canonical SMILES for 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol is OC1(C2CN(c3ccc(F)c(-c4[nH]nc5ncccc45)n3)CCN2)COC1.
What is the InChIKey of 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol?
The InChIKey is MVXDUJFPPHSXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c19-12-3-4-14(25-7-6-20-13(8-25)18(26)9-27-10-18)22-16(12)15-11-2-1-5-21-17(11)24-23-15/h1-5,13,20,26H,6-10H2,(H,21,23,24).
What are the key properties of 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol?
3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol has a molecular weight of 370.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol is sourced from PubChem (CID 67949814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).