5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one

C16H12N4O3S — CID 140960231

IUPAC5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
SMILESCOc1cc(-c2cccnc2)c2cnn(C3=CC(=O)NS3=O)c2c1
InChIInChI=1S/C16H12N4O3S/c1-23-11-5-12(10-3-2-4-17-8-10)13-9-18-20(14(13)6-11)16-7-15(21)19-24(16)22/h2-9H,1H3,(H,19,21)
InChIKeyRTYGIDPTTJSHDH-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.70
Rot. Bonds3

About 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one

5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one (PubChem CID 140960231) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
PubChem CID140960231
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
SMILESCOc1cc(-c2cccnc2)c2cnn(C3=CC(=O)NS3=O)c2c1
InChIInChI=1S/C16H12N4O3S/c1-23-11-5-12(10-3-2-4-17-8-10)13-9-18-20(14(13)6-11)16-7-15(21)19-24(16)22/h2-9H,1H3,(H,19,21)
InChIKeyRTYGIDPTTJSHDH-UHFFFAOYSA-N
XLogP1.70
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
CID 74223724
3-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
CID 91899758
5-methyl-4-[2-methyl-4-(1H-pyrazolo[4,5-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
CID 91899762
US11247989, Example 63
CID 132186418
3-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methoxyphenyl]pyridin-4-amine
CID 45204799
(1-Methyl-4-pyridin-3-ylindazol-6-yl) trifluoromethanesulfonate
CID 162528570
imino({2-[1-(7-methoxyquinolin-4-yl)-1H-pyrazol-4-yl]ethyl})methyl-lambda6-sulfanone
CID 157041075
imino[2-(7-methoxyquinolin-4-yl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl-lambda6-sulfanone
CID 166562119
US20250346593, Example 24
CID 177773439
[4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 90004489
[1-benzyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(6-methylpyridazin-3-yl)methyl]carbamate
CID 90004782
[1-butyl-4-(5-methyl-2-pyridinyl)indazol-6-yl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 90004822

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one (CID 140960231) is 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one is COc1cc(-c2cccnc2)c2cnn(C3=CC(=O)NS3=O)c2c1.
What is the InChIKey of 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one?
The InChIKey is RTYGIDPTTJSHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c1-23-11-5-12(10-3-2-4-17-8-10)13-9-18-20(14(13)6-11)16-7-15(21)19-24(16)22/h2-9H,1H3,(H,19,21).
What are the key properties of 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one?
5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one has a molecular weight of 340.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-4-pyridin-3-ylindazol-1-yl)-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).