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

C23H18N6O3S — CID 140960452

IUPAC5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2cc(-c3ccc4c(c3)c(-c3cccnc3)nn4C3=CC(=O)NS3=O)cnc21
InChIInChI=1S/C23H18N6O3S/c1-28-7-8-32-19-10-16(13-25-23(19)28)14-4-5-18-17(9-14)22(15-3-2-6-24-12-15)26-29(18)21-11-20(30)27-33(21)31/h2-6,9-13H,7-8H2,1H3,(H,27,30)
InChIKeyGBUKKMKHFUVSOR-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.58
Rot. Bonds3

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

5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960452) has the molecular formula C23H18N6O3S and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960452
Molecular FormulaC23H18N6O3S
Molecular Weight458.50 g/mol
Exact Mass458.12
IUPAC Name5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESCN1CCOc2cc(-c3ccc4c(c3)c(-c3cccnc3)nn4C3=CC(=O)NS3=O)cnc21
InChIInChI=1S/C23H18N6O3S/c1-28-7-8-32-19-10-16(13-25-23(19)28)14-4-5-18-17(9-14)22(15-3-2-6-24-12-15)26-29(18)21-11-20(30)27-33(21)31/h2-6,9-13H,7-8H2,1H3,(H,27,30)
InChIKeyGBUKKMKHFUVSOR-UHFFFAOYSA-N
XLogP2.58
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-[5-[(2-methylpyrazol-3-yl)methoxy]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667709
US11247990, Example 219
CID 138715407
US10144734, Example 372
CID 134435266
US10144734, Example 373
CID 134435309
US10144734, Example 368
CID 134436083
US10144734, Example 369
CID 134436326
US11780845, Example 214
CID 155309470
1-(1,3-dimethyl-1H-pyrazol-4-yl)-3-methyl-8-(6-methyl-5-(propan-2-yloxy)pyridin-3-yl)-1H,2H,3H-imidazo(4,5-c)quinolin-2-one
CID 59620037
(S)-N-(4-(4-amino-1-methyl-7-(6-morpholinopyridin-3-yl)-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-(1-(4-fluorophenyl)ethoxy)phenyl)-1,1-difluoromethanesulfonamide
CID 175683001
6-(difluoro(8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)-3-(3-morpholinopropoxy)quinoline
CID 44181150
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
4-[3-[6-[1-Fluoro-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]quinolin-3-yl]oxypropyl]morpholine
CID 68075568

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960452) is 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one is CN1CCOc2cc(-c3ccc4c(c3)c(-c3cccnc3)nn4C3=CC(=O)NS3=O)cnc21.
What is the InChIKey of 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is GBUKKMKHFUVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3S/c1-28-7-8-32-19-10-16(13-25-23(19)28)14-4-5-18-17(9-14)22(15-3-2-6-24-12-15)26-29(18)21-11-20(30)27-33(21)31/h2-6,9-13H,7-8H2,1H3,(H,27,30).
What are the key properties of 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 458.50 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)-3-pyridin-3-ylindazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).