N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide

C21H15FN6O3S — CID 88579115

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnn2ccccc12)c1cc(C(=O)Nc2nc3ccc(F)cc3s2)on1
InChIInChI=1S/C21H15FN6O3S/c1-11(24-19(29)13-10-23-28-7-3-2-4-16(13)28)15-9-17(31-27-15)20(30)26-21-25-14-6-5-12(22)8-18(14)32-21/h2-11H,1H3,(H,24,29)(H,25,26,30)/t11-/m1/s1
InChIKeyLEWQFDBHEVDECJ-LLVKDONJSA-N
MW450.46 g/mol
LogP3.81
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 88579115) has the molecular formula C21H15FN6O3S and a molecular weight of 450.46 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID88579115
Molecular FormulaC21H15FN6O3S
Molecular Weight450.46 g/mol
Exact Mass450.09
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnn2ccccc12)c1cc(C(=O)Nc2nc3ccc(F)cc3s2)on1
InChIInChI=1S/C21H15FN6O3S/c1-11(24-19(29)13-10-23-28-7-3-2-4-16(13)28)15-9-17(31-27-15)20(30)26-21-25-14-6-5-12(22)8-18(14)32-21/h2-11H,1H3,(H,24,29)(H,25,26,30)/t11-/m1/s1
InChIKeyLEWQFDBHEVDECJ-LLVKDONJSA-N
XLogP3.81
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide (CID 88579115) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide is C[C@@H](NC(=O)c1cnn2ccccc12)c1cc(C(=O)Nc2nc3ccc(F)cc3s2)on1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is LEWQFDBHEVDECJ-LLVKDONJSA-N. The full InChI is InChI=1S/C21H15FN6O3S/c1-11(24-19(29)13-10-23-28-7-3-2-4-16(13)28)15-9-17(31-27-15)20(30)26-21-25-14-6-5-12(22)8-18(14)32-21/h2-11H,1H3,(H,24,29)(H,25,26,30)/t11-/m1/s1.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-[(1R)-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 88579115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).