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

C17H11F3N4O — CID 155388989

IUPAC3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole
SMILESFc1ccc(-c2cnc3cnn(Cc4ccon4)c3c2)cc1C(F)F
InChIInChI=1S/C17H11F3N4O/c18-14-2-1-10(5-13(14)17(19)20)11-6-16-15(21-7-11)8-22-24(16)9-12-3-4-25-23-12/h1-8,17H,9H2
InChIKeyPVOQMOZBTUTFRC-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.21
Rot. Bonds4

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

3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole (PubChem CID 155388989) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole
PubChem CID155388989
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole
SMILESFc1ccc(-c2cnc3cnn(Cc4ccon4)c3c2)cc1C(F)F
InChIInChI=1S/C17H11F3N4O/c18-14-2-1-10(5-13(14)17(19)20)11-6-16-15(21-7-11)8-22-24(16)9-12-3-4-25-23-12/h1-8,17H,9H2
InChIKeyPVOQMOZBTUTFRC-UHFFFAOYSA-N
XLogP4.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole (CID 155388989) is 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole is Fc1ccc(-c2cnc3cnn(Cc4ccon4)c3c2)cc1C(F)F.
What is the InChIKey of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole?
The InChIKey is PVOQMOZBTUTFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-14-2-1-10(5-13(14)17(19)20)11-6-16-15(21-7-11)8-22-24(16)9-12-3-4-25-23-12/h1-8,17H,9H2.
What are the key properties of 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole?
3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole has a molecular weight of 344.30 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 155388989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).