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

C18H15N5O3S — CID 140960238

IUPAC5-[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
SMILESCC1COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1
InChIInChI=1S/C18H15N5O3S/c1-10-9-26-15-5-12(7-19-18(15)21-10)11-2-3-14-13(4-11)8-20-23(14)17-6-16(24)22-27(17)25/h2-8,10H,9H2,1H3,(H,19,21)(H,22,24)
InChIKeyBKQZEAGFYBDJGH-UHFFFAOYSA-N
MW381.42 g/mol
LogP1.88
Rot. Bonds2

About 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

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 (PubChem CID 140960238) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID140960238
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name5-[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
SMILESCC1COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1
InChIInChI=1S/C18H15N5O3S/c1-10-9-26-15-5-12(7-19-18(15)21-10)11-2-3-14-13(4-11)8-20-23(14)17-6-16(24)22-27(17)25/h2-8,10H,9H2,1H3,(H,19,21)(H,22,24)
InChIKeyBKQZEAGFYBDJGH-UHFFFAOYSA-N
XLogP1.88
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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
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(2R)-N-[5-methoxy-4-(1-methylindazol-7-yl)-6-(2-phenylethynyl)-2-pyridinyl]-2-(methylamino)propanamide
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US11247990, Example 216
CID 138715352
US11247990, Example 217
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US11247990, Example 219
CID 138715407
US11247990, Example 183
CID 138715559
US10071079, Example 132
CID 132272035
US10071079, Example 135
CID 132272036
US11247990, Example 128
CID 138682877
US11247990, Example 131
CID 138682950
US11247990, Example 165
CID 138682977

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1.
What is the InChIKey of 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?
The InChIKey is BKQZEAGFYBDJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-10-9-26-15-5-12(7-19-18(15)21-10)11-2-3-14-13(4-11)8-20-23(14)17-6-16(24)22-27(17)25/h2-8,10H,9H2,1H3,(H,19,21)(H,22,24).
What are the key properties of 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?
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 has a molecular weight of 381.42 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140960238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).