4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

C16H13F3N4O — CID 71736027

IUPAC4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(-c3cc(C(F)(F)F)cc4[nH]ncc34)cnc21
InChIInChI=1S/C16H13F3N4O/c1-23-2-3-24-14-4-9(7-20-15(14)23)11-5-10(16(17,18)19)6-13-12(11)8-21-22-13/h4-8H,2-3H2,1H3,(H,21,22)
InChIKeyHJTUZPUFGBLDNI-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.47
Rot. Bonds1

About 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 71736027) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID71736027
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(-c3cc(C(F)(F)F)cc4[nH]ncc34)cnc21
InChIInChI=1S/C16H13F3N4O/c1-23-2-3-24-14-4-9(7-20-15(14)23)11-5-10(16(17,18)19)6-13-12(11)8-21-22-13/h4-8H,2-3H2,1H3,(H,21,22)
InChIKeyHJTUZPUFGBLDNI-UHFFFAOYSA-N
XLogP3.47
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 71736027) is 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is CN1CCOc2cc(-c3cc(C(F)(F)F)cc4[nH]ncc34)cnc21.
What is the InChIKey of 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is HJTUZPUFGBLDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-23-2-3-24-14-4-9(7-20-15(14)23)11-5-10(16(17,18)19)6-13-12(11)8-21-22-13/h4-8H,2-3H2,1H3,(H,21,22).
What are the key properties of 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 334.30 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 71736027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).