5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole

C21H18FN7O — CID 170759526

IUPAC5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1nccc1-c1cc(-c2nc(C)no2)c2c(C)nn(-c3ccccc3F)c2n1
InChIInChI=1S/C21H18FN7O/c1-4-28-18(9-10-23-28)16-11-14(21-24-13(3)27-30-21)19-12(2)26-29(20(19)25-16)17-8-6-5-7-15(17)22/h5-11H,4H2,1-3H3
InChIKeySOXRQXBOOJOSJL-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.11
Rot. Bonds4

About 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole

5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 170759526) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID170759526
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole
SMILESCCn1nccc1-c1cc(-c2nc(C)no2)c2c(C)nn(-c3ccccc3F)c2n1
InChIInChI=1S/C21H18FN7O/c1-4-28-18(9-10-23-28)16-11-14(21-24-13(3)27-30-21)19-12(2)26-29(20(19)25-16)17-8-6-5-7-15(17)22/h5-11H,4H2,1-3H3
InChIKeySOXRQXBOOJOSJL-UHFFFAOYSA-N
XLogP4.11
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole (CID 170759526) is 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole is CCn1nccc1-c1cc(-c2nc(C)no2)c2c(C)nn(-c3ccccc3F)c2n1.
What is the InChIKey of 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is SOXRQXBOOJOSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O/c1-4-28-18(9-10-23-28)16-11-14(21-24-13(3)27-30-21)19-12(2)26-29(20(19)25-16)17-8-6-5-7-15(17)22/h5-11H,4H2,1-3H3.
What are the key properties of 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole?
5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 403.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-ethylpyrazol-3-yl)-1-(2-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridin-4-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 170759526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).