5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C19H15F2N5O3S — CID 140960227

IUPAC5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)c(C(F)F)nc21
InChIInChI=1S/C19H15F2N5O3S/c1-25-4-5-29-14-7-12(17(18(20)21)23-19(14)25)10-2-3-13-11(6-10)9-22-26(13)16-8-15(27)24-30(16)28/h2-3,6-9,18H,4-5H2,1H3,(H,24,27)
InChIKeyFMXOMEWAXYNNAI-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.46
Rot. Bonds3

About 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960227) has the molecular formula C19H15F2N5O3S and a molecular weight of 431.42 g/mol. Its IUPAC name is 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960227
Molecular FormulaC19H15F2N5O3S
Molecular Weight431.42 g/mol
Exact Mass431.09
IUPAC Name5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)c(C(F)F)nc21
InChIInChI=1S/C19H15F2N5O3S/c1-25-4-5-29-14-7-12(17(18(20)21)23-19(14)25)10-2-3-13-11(6-10)9-22-26(13)16-8-15(27)24-30(16)28/h2-3,6-9,18H,4-5H2,1H3,(H,24,27)
InChIKeyFMXOMEWAXYNNAI-UHFFFAOYSA-N
XLogP2.46
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

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Related Compounds

Pf-07059013
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6-[(1S)-1-(2-amino-6,8-difluoroquinolin-3-yl)oxyethyl]-5-pyrazol-1-yl-1H-pyridin-2-one
CID 146591926
US11247990, Example 216
CID 138715352
US11247990, Example 217
CID 138715353
US11247990, Example 219
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(S)-N-(4-(4-amino-7-(2-(dimethylamino)pyridin-4-yl)-1-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(1-(4-fluorophenyl)ethoxy)phenyl)-1,1-difluoromethanesulfonamide
CID 175682971
3-(benzyloxy)-6-(difluoro(8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)quinoline
CID 44181359
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-8-[5-(2-fluoro-ethoxy)-pyridin-3-yl]-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59619767
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-8-[5-(2-fluoro-1-fluoromethyl-ethoxy)-6-methyl-pyridin-3-yl]-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59619805
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-8-[5-(2-fluoro-1-fluoromethyl-ethoxy)-pyridin-3-yl]-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 59619832
4-methyl-7-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
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CID 89713633

Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960227) is 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one is CN1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)c(C(F)F)nc21.
What is the InChIKey of 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is FMXOMEWAXYNNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O3S/c1-25-4-5-29-14-7-12(17(18(20)21)23-19(14)25)10-2-3-13-11(6-10)9-22-26(13)16-8-15(27)24-30(16)28/h2-3,6-9,18H,4-5H2,1H3,(H,24,27).
What are the key properties of 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 431.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[6-(difluoromethyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).