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

C19H17N5O4S — CID 140960221

IUPAC5-[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
SMILESCOc1c(-c2cnc3c(c2)OCCN3C)ccc2c1cnn2C1=CC(=O)NS1=O
InChIInChI=1S/C19H17N5O4S/c1-23-5-6-28-15-7-11(9-20-19(15)23)12-3-4-14-13(18(12)27-2)10-21-24(14)17-8-16(25)22-29(17)26/h3-4,7-10H,5-6H2,1-2H3,(H,22,25)
InChIKeyOXVOPUMLOKEVSA-UHFFFAOYSA-N
MW411.44 g/mol
LogP1.53
Rot. Bonds3

About 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

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 (PubChem CID 140960221) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID140960221
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name5-[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
SMILESCOc1c(-c2cnc3c(c2)OCCN3C)ccc2c1cnn2C1=CC(=O)NS1=O
InChIInChI=1S/C19H17N5O4S/c1-23-5-6-28-15-7-11(9-20-19(15)23)12-3-4-14-13(18(12)27-2)10-21-24(14)17-8-16(25)22-29(17)26/h3-4,7-10H,5-6H2,1-2H3,(H,22,25)
InChIKeyOXVOPUMLOKEVSA-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-[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 with MolForge

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Related Compounds

US10457677, Example 203
CID 122589423
US10457677, Example 105
CID 134325506
US10457677, Example 113
CID 134325514
US10457677, Example 204
CID 134325540
US10457677, Example 67
CID 134325541
US10457677, Example 201
CID 134325543
US10457677, Example 205
CID 134325548
US10457677, Example 106
CID 134325552
US10457677, Example 66
CID 134325564
US10457677, Example 115
CID 134325511
US10457677, Example 207
CID 134325518
US10457677, Example 206
CID 134325521

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(-c2cnc3c(c2)OCCN3C)ccc2c1cnn2C1=CC(=O)NS1=O.
What is the InChIKey of 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?
The InChIKey is OXVOPUMLOKEVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-23-5-6-28-15-7-11(9-20-19(15)23)12-3-4-14-13(18(12)27-2)10-21-24(14)17-8-16(25)22-29(17)26/h3-4,7-10H,5-6H2,1-2H3,(H,22,25).
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 140960221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).