5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole

C17H13FN4O — CID 155399969

IUPAC5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(Cn2ncc3ncc(-c4ccc(F)cc4)cc32)on1
InChIInChI=1S/C17H13FN4O/c1-11-6-15(23-21-11)10-22-17-7-13(8-19-16(17)9-20-22)12-2-4-14(18)5-3-12/h2-9H,10H2,1H3
InChIKeyUOXPRMUWUDZOLN-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.58
Rot. Bonds3

About 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole

5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 155399969) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID155399969
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(Cn2ncc3ncc(-c4ccc(F)cc4)cc32)on1
InChIInChI=1S/C17H13FN4O/c1-11-6-15(23-21-11)10-22-17-7-13(8-19-16(17)9-20-22)12-2-4-14(18)5-3-12/h2-9H,10H2,1H3
InChIKeyUOXPRMUWUDZOLN-UHFFFAOYSA-N
XLogP3.58
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole (CID 155399969) is 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(Cn2ncc3ncc(-c4ccc(F)cc4)cc32)on1.
What is the InChIKey of 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is UOXPRMUWUDZOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-11-6-15(23-21-11)10-22-17-7-13(8-19-16(17)9-20-22)12-2-4-14(18)5-3-12/h2-9H,10H2,1H3.
What are the key properties of 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole?
5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 308.32 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-fluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 155399969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).