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

C20H19N5O3S — CID 140960279

IUPAC1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one
SMILESCC(C)N1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21
InChIInChI=1S/C20H19N5O3S/c1-12(2)24-5-6-28-17-8-14(10-21-20(17)24)13-3-4-16-15(7-13)11-22-25(16)19-9-18(26)23-29(19)27/h3-4,7-12H,5-6H2,1-2H3,(H,23,26)
InChIKeyGRFRRAPLTGSSEF-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.30
Rot. Bonds3

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

1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one (PubChem CID 140960279) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one
PubChem CID140960279
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one
SMILESCC(C)N1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21
InChIInChI=1S/C20H19N5O3S/c1-12(2)24-5-6-28-17-8-14(10-21-20(17)24)13-3-4-16-15(7-13)11-22-25(16)19-9-18(26)23-29(19)27/h3-4,7-12H,5-6H2,1-2H3,(H,23,26)
InChIKeyGRFRRAPLTGSSEF-UHFFFAOYSA-N
XLogP2.30
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one (CID 140960279) is 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one is CC(C)N1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.
What is the InChIKey of 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one?
The InChIKey is GRFRRAPLTGSSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-12(2)24-5-6-28-17-8-14(10-21-20(17)24)13-3-4-16-15(7-13)11-22-25(16)19-9-18(26)23-29(19)27/h3-4,7-12H,5-6H2,1-2H3,(H,23,26).
What are the key properties of 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one?
1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 409.47 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 140960279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).