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

C18H20N6O2 — CID 67949815

IUPAC3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
SMILESOC1(C2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)COC1
InChIInChI=1S/C18H20N6O2/c25-18(10-26-11-18)14-9-24(8-7-19-14)15-5-1-4-13(21-15)16-12-3-2-6-20-17(12)23-22-16/h1-6,14,19,25H,7-11H2,(H,20,22,23)
InChIKeyOVGZUGGCTRMRTC-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.56
Rot. Bonds3

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

3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol (PubChem CID 67949815) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol.

Molecular Properties

Compound Name3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
PubChem CID67949815
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol
SMILESOC1(C2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)COC1
InChIInChI=1S/C18H20N6O2/c25-18(10-26-11-18)14-9-24(8-7-19-14)15-5-1-4-13(21-15)16-12-3-2-6-20-17(12)23-22-16/h1-6,14,19,25H,7-11H2,(H,20,22,23)
InChIKeyOVGZUGGCTRMRTC-UHFFFAOYSA-N
XLogP0.56
TPSA99.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol?
The IUPAC name of 3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol (CID 67949815) is 3-[4-[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-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol?
The canonical SMILES for 3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol is OC1(C2CN(c3cccc(-c4[nH]nc5ncccc45)n3)CCN2)COC1.
What is the InChIKey of 3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol?
The InChIKey is OVGZUGGCTRMRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(10-26-11-18)14-9-24(8-7-19-14)15-5-1-4-13(21-15)16-12-3-2-6-20-17(12)23-22-16/h1-6,14,19,25H,7-11H2,(H,20,22,23).
What are the key properties of 3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol?
3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol has a molecular weight of 352.40 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]oxetan-3-ol is sourced from PubChem (CID 67949815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).