2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

C17H11FN6O2 — CID 162760561

IUPAC2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESO=C1OCCn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c21
InChIInChI=1S/C17H11FN6O2/c18-9-1-2-12(20-7-9)14-13(15-17(25)26-6-5-24(15)23-14)10-3-4-19-16-11(10)8-21-22-16/h1-4,7-8H,5-6H2,(H,19,21,22)
InChIKeyNPFVNLADQOCLTI-UHFFFAOYSA-N
MW350.31 g/mol
LogP2.19
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one

2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (PubChem CID 162760561) has the molecular formula C17H11FN6O2 and a molecular weight of 350.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
PubChem CID162760561
Molecular FormulaC17H11FN6O2
Molecular Weight350.31 g/mol
Exact Mass350.09
IUPAC Name2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one
SMILESO=C1OCCn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c21
InChIInChI=1S/C17H11FN6O2/c18-9-1-2-12(20-7-9)14-13(15-17(25)26-6-5-24(15)23-14)10-3-4-19-16-11(10)8-21-22-16/h1-4,7-8H,5-6H2,(H,19,21,22)
InChIKeyNPFVNLADQOCLTI-UHFFFAOYSA-N
XLogP2.19
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one (CID 162760561) is 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is O=C1OCCn2nc(-c3ccc(F)cn3)c(-c3ccnc4[nH]ncc34)c21.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
The InChIKey is NPFVNLADQOCLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6O2/c18-9-1-2-12(20-7-9)14-13(15-17(25)26-6-5-24(15)23-14)10-3-4-19-16-11(10)8-21-22-16/h1-4,7-8H,5-6H2,(H,19,21,22).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one?
2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one has a molecular weight of 350.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 162760561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).