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

C19H17N5O4S — CID 140960488

IUPAC5-[6-methoxy-4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1cc(-c2cnc3c(c2)OCCN3C)c2cnn(C3=CC(=O)NS3=O)c2c1
InChIInChI=1S/C19H17N5O4S/c1-23-3-4-28-16-5-11(9-20-19(16)23)13-6-12(27-2)7-15-14(13)10-21-24(15)18-8-17(25)22-29(18)26/h5-10H,3-4H2,1-2H3,(H,22,25)
InChIKeyFYZUAANJGXPJLD-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.53
Rot. Bonds3

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

5-[6-methoxy-4-(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 140960488) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 5-[6-methoxy-4-(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-[6-methoxy-4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960488
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name5-[6-methoxy-4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCOc1cc(-c2cnc3c(c2)OCCN3C)c2cnn(C3=CC(=O)NS3=O)c2c1
InChIInChI=1S/C19H17N5O4S/c1-23-3-4-28-16-5-11(9-20-19(16)23)13-6-12(27-2)7-15-14(13)10-21-24(15)18-8-17(25)22-29(18)26/h5-10H,3-4H2,1-2H3,(H,22,25)
InChIKeyFYZUAANJGXPJLD-UHFFFAOYSA-N
XLogP1.53
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-methoxy-4-(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

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
5-[5-[4-(2,2-Difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960580
US20240101531, Example 55
CID 170436075
4-[2-(3-Aminophenyl)-6-(methyloxy)pyrazolo[1,5-a]pyridin-3-yl]-N-(3-{[2-(dimethylamino)ethyl]oxy}phenyl)-2-pyrimidinamine
CID 57737217
8-(2-methoxyethyl)-2-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-6,7-dihydropyrimido[5,4-b][1,4]oxazine
CID 134293487
5-[4-Methoxy-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960221
5-[5-(3,3-Dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960230
5-(6-Methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960231
5-[5-(10-Methyl-6,7,8,9-tetrahydropyrido[3,2-b][1,4]oxazocin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960234
5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960238
5-[5-(4-Cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960271
5-[5-(4,6-Dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960274

Frequently Asked Questions

What is the IUPAC name of 5-[6-methoxy-4-(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-[6-methoxy-4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960488) is 5-[6-methoxy-4-(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-[6-methoxy-4-(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-[6-methoxy-4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is COc1cc(-c2cnc3c(c2)OCCN3C)c2cnn(C3=CC(=O)NS3=O)c2c1.
What is the InChIKey of 5-[6-methoxy-4-(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 FYZUAANJGXPJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-23-3-4-28-16-5-11(9-20-19(16)23)13-6-12(27-2)7-15-14(13)10-21-24(15)18-8-17(25)22-29(18)26/h5-10H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 5-[6-methoxy-4-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[6-methoxy-4-(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 411.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-methoxy-4-(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 140960488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).