2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C18H14F4N4O — CID 175892548

IUPAC2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILES[2H]C([2H])([2H])C1(C(F)(F)F)Cn2nc(-c3ccc(F)cn3)c(-c3ccncc3)c2CO1
InChIInChI=1S/C18H14F4N4O/c1-17(18(20,21)22)10-26-14(9-27-17)15(11-4-6-23-7-5-11)16(25-26)13-3-2-12(19)8-24-13/h2-8H,9-10H2,1H3/i1D3
InChIKeyUIGJQHXPSIWWEC-FIBGUPNXSA-N
MW381.35 g/mol
LogP4.00
Rot. Bonds3

About 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 175892548) has the molecular formula C18H14F4N4O and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID175892548
Molecular FormulaC18H14F4N4O
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILES[2H]C([2H])([2H])C1(C(F)(F)F)Cn2nc(-c3ccc(F)cn3)c(-c3ccncc3)c2CO1
InChIInChI=1S/C18H14F4N4O/c1-17(18(20,21)22)10-26-14(9-27-17)15(11-4-6-23-7-5-11)16(25-26)13-3-2-12(19)8-24-13/h2-8H,9-10H2,1H3/i1D3
InChIKeyUIGJQHXPSIWWEC-FIBGUPNXSA-N
XLogP4.00
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-3-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 169001921
2-(5-fluoro-2-pyridinyl)-6-methyl-3-(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169001936
(6S)-2-(5-fluoro-2-pyridinyl)-6-methyl-3-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169306013
3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760429
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
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
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
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
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
6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-7-pyrazolo[1,5-a]pyridin-5-yl-3H-pyrazolo[5,1-b][1,3]oxazole
CID 162760557
3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 162760667

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 175892548) is 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is [2H]C([2H])([2H])C1(C(F)(F)F)Cn2nc(-c3ccc(F)cn3)c(-c3ccncc3)c2CO1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is UIGJQHXPSIWWEC-FIBGUPNXSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-17(18(20,21)22)10-26-14(9-27-17)15(11-4-6-23-7-5-11)16(25-26)13-3-2-12(19)8-24-13/h2-8H,9-10H2,1H3/i1D3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 381.35 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-3-pyridin-4-yl-6-(trideuteriomethyl)-6-(trifluoromethyl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 175892548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).