2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C17H13F2N5O — CID 155388736

IUPAC2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(F)c3ncc(-c4ccc(F)c(C)c4)cc32)o1
InChIInChI=1S/C17H13F2N5O/c1-9-5-11(3-4-13(9)18)12-6-14-16(20-7-12)17(19)23-24(14)8-15-22-21-10(2)25-15/h3-7H,8H2,1-2H3
InChIKeyLDATUNFLUNWYEU-UHFFFAOYSA-N
MW341.32 g/mol
LogP3.42
Rot. Bonds3

About 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155388736) has the molecular formula C17H13F2N5O and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155388736
Molecular FormulaC17H13F2N5O
Molecular Weight341.32 g/mol
Exact Mass341.11
IUPAC Name2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2nc(F)c3ncc(-c4ccc(F)c(C)c4)cc32)o1
InChIInChI=1S/C17H13F2N5O/c1-9-5-11(3-4-13(9)18)12-6-14-16(20-7-12)17(19)23-24(14)8-15-22-21-10(2)25-15/h3-7H,8H2,1-2H3
InChIKeyLDATUNFLUNWYEU-UHFFFAOYSA-N
XLogP3.42
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155388736) is 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2nc(F)c3ncc(-c4ccc(F)c(C)c4)cc32)o1.
What is the InChIKey of 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is LDATUNFLUNWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O/c1-9-5-11(3-4-13(9)18)12-6-14-16(20-7-12)17(19)23-24(14)8-15-22-21-10(2)25-15/h3-7H,8H2,1-2H3.
What are the key properties of 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 341.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-6-(4-fluoro-3-methylphenyl)pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155388736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).