5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C18H16N6O3S — CID 140960413

IUPAC5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cnc(N5CCOCC5)cn4)ccc32)S(=O)N1
InChIInChI=1S/C18H16N6O3S/c25-17-8-18(28(26)22-17)24-15-2-1-12(7-13(15)9-21-24)14-10-20-16(11-19-14)23-3-5-27-6-4-23/h1-2,7-11H,3-6H2,(H,22,25)
InChIKeyIAHSVHNOJUAFKW-UHFFFAOYSA-N
MW396.43 g/mol
LogP0.92
Rot. Bonds3

About 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960413) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960413
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cnc(N5CCOCC5)cn4)ccc32)S(=O)N1
InChIInChI=1S/C18H16N6O3S/c25-17-8-18(28(26)22-17)24-15-2-1-12(7-13(15)9-21-24)14-10-20-16(11-19-14)23-3-5-27-6-4-23/h1-2,7-11H,3-6H2,(H,22,25)
InChIKeyIAHSVHNOJUAFKW-UHFFFAOYSA-N
XLogP0.92
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960413) is 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(n2ncc3cc(-c4cnc(N5CCOCC5)cn4)ccc32)S(=O)N1.
What is the InChIKey of 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is IAHSVHNOJUAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c25-17-8-18(28(26)22-17)24-15-2-1-12(7-13(15)9-21-24)14-10-20-16(11-19-14)23-3-5-27-6-4-23/h1-2,7-11H,3-6H2,(H,22,25).
What are the key properties of 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 396.43 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).