3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C13H13BrFN3O — CID 162760429

IUPAC3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1(C)Cn2nc(-c3ccc(F)cn3)c(Br)c2CO1
InChIInChI=1S/C13H13BrFN3O/c1-13(2)7-18-10(6-19-13)11(14)12(17-18)9-4-3-8(15)5-16-9/h3-5H,6-7H2,1-2H3
InChIKeyGOQDGUNOJHWQAG-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.16
Rot. Bonds1

About 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760429) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID162760429
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCC1(C)Cn2nc(-c3ccc(F)cn3)c(Br)c2CO1
InChIInChI=1S/C13H13BrFN3O/c1-13(2)7-18-10(6-19-13)11(14)12(17-18)9-4-3-8(15)5-16-9/h3-5H,6-7H2,1-2H3
InChIKeyGOQDGUNOJHWQAG-UHFFFAOYSA-N
XLogP3.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
CID 162760266
3-(3-bromo-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760310
3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 162760631
3-(3-chloropyrazolo[1,5-a]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760138
2-[[7-[2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl]pyrazolo[4,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760447
(6S,7R)-3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 162760080
4,4-dideuterio-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-7H-pyrazolo[5,1-c][1,4]oxazine
CID 169305935
3-bromo-6,6-difluoro-2-(4-fluorophenyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305930
2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 175892548
3-(5-fluoro-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-2-(5-fluoro-2-pyridinyl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760621
3-[6-(difluoromethyl)-1H-pyrazolo[5,4-b]pyridin-4-yl]-2-(5-fluoro-2-pyridinyl)-6,6-bis(trideuteriomethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760335
8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
CID 162760408

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 162760429) is 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is CC1(C)Cn2nc(-c3ccc(F)cn3)c(Br)c2CO1.
What is the InChIKey of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is GOQDGUNOJHWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-13(2)7-18-10(6-19-13)11(14)12(17-18)9-4-3-8(15)5-16-9/h3-5H,6-7H2,1-2H3.
What are the key properties of 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 326.17 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).