6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

C18H10F4N6O3S — CID 87717743

IUPAC6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1)Nc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C18H10F4N6O3S/c19-13-9(18(20,21)22)2-1-3-10(13)26-16(31)27-17-23-6-12(32-17)11-4-7(15(29)30)8-5-24-28-14(8)25-11/h1-6H,(H,29,30)(H,24,25,28)(H2,23,26,27,31)
InChIKeyOABLASRUYNMGQA-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.58
Rot. Bonds4

About 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 87717743) has the molecular formula C18H10F4N6O3S and a molecular weight of 466.38 g/mol. Its IUPAC name is 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID87717743
Molecular FormulaC18H10F4N6O3S
Molecular Weight466.38 g/mol
Exact Mass466.05
IUPAC Name6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1)Nc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C18H10F4N6O3S/c19-13-9(18(20,21)22)2-1-3-10(13)26-16(31)27-17-23-6-12(32-17)11-4-7(15(29)30)8-5-24-28-14(8)25-11/h1-6H,(H,29,30)(H,24,25,28)(H2,23,26,27,31)
InChIKeyOABLASRUYNMGQA-UHFFFAOYSA-N
XLogP4.58
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 87717743) is 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(Nc1ncc(-c2cc(C(=O)O)c3cn[nH]c3n2)s1)Nc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is OABLASRUYNMGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N6O3S/c19-13-9(18(20,21)22)2-1-3-10(13)26-16(31)27-17-23-6-12(32-17)11-4-7(15(29)30)8-5-24-28-14(8)25-11/h1-6H,(H,29,30)(H,24,25,28)(H2,23,26,27,31).
What are the key properties of 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 466.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[2-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 87717743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).