5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole

C17H13FN4O2 — CID 134328076

IUPAC5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole
SMILESCOc1cccc(F)c1-c1cc2c(-c3cc(C)no3)n[nH]c2cn1
InChIInChI=1S/C17H13FN4O2/c1-9-6-15(24-22-9)17-10-7-12(19-8-13(10)20-21-17)16-11(18)4-3-5-14(16)23-2/h3-8H,1-2H3,(H,20,21)
InChIKeyXZDJPUXVLROZAW-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.74
Rot. Bonds3

About 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole

5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole (PubChem CID 134328076) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole
PubChem CID134328076
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole
SMILESCOc1cccc(F)c1-c1cc2c(-c3cc(C)no3)n[nH]c2cn1
InChIInChI=1S/C17H13FN4O2/c1-9-6-15(24-22-9)17-10-7-12(19-8-13(10)20-21-17)16-11(18)4-3-5-14(16)23-2/h3-8H,1-2H3,(H,20,21)
InChIKeyXZDJPUXVLROZAW-UHFFFAOYSA-N
XLogP3.74
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole (CID 134328076) is 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole is COc1cccc(F)c1-c1cc2c(-c3cc(C)no3)n[nH]c2cn1.
What is the InChIKey of 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole?
The InChIKey is XZDJPUXVLROZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c1-9-6-15(24-22-9)17-10-7-12(19-8-13(10)20-21-17)16-11(18)4-3-5-14(16)23-2/h3-8H,1-2H3,(H,20,21).
What are the key properties of 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole?
5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole has a molecular weight of 324.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 134328076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).