3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C14H15BrFN3O — CID 162760631

IUPAC3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCC(C)C1Cn2nc(-c3ccc(F)cn3)c(Br)c2CO1
InChIInChI=1S/C14H15BrFN3O/c1-8(2)12-6-19-11(7-20-12)13(15)14(18-19)10-4-3-9(16)5-17-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyKFCGQPSGJXDPAL-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.40
Rot. Bonds2

About 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760631) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID162760631
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESCC(C)C1Cn2nc(-c3ccc(F)cn3)c(Br)c2CO1
InChIInChI=1S/C14H15BrFN3O/c1-8(2)12-6-19-11(7-20-12)13(15)14(18-19)10-4-3-9(16)5-17-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyKFCGQPSGJXDPAL-UHFFFAOYSA-N
XLogP3.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760429
(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
7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
CID 162760266
8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
CID 162760408
5-bromo-4-(5-fluoro-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 162760175
6-cyclopropyl-2-(5-fluoro-2-pyridinyl)-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169001904
4-[5-fluoro-2-(5-fluoro-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 162760724
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
2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
CID 175920701
2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine
CID 162760807
(6R,7R)-2-(5-fluoro-2-pyridinyl)-6,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169306005
3-bromo-6,6-difluoro-2-(4-fluorophenyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305930

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 162760631) is 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is CC(C)C1Cn2nc(-c3ccc(F)cn3)c(Br)c2CO1.
What is the InChIKey of 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is KFCGQPSGJXDPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-8(2)12-6-19-11(7-20-12)13(15)14(18-19)10-4-3-9(16)5-17-10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 340.20 g/mol, XLogP of 3.40, 2 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-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).