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

C17H12F3N5O2 — CID 155389058

IUPAC[5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol
SMILESOCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)o1
InChIInChI=1S/C17H12F3N5O2/c18-12-2-1-9(3-11(12)17(19)20)10-4-14-13(21-5-10)6-22-25(14)7-15-23-24-16(8-26)27-15/h1-6,17,26H,7-8H2
InChIKeyGAFKPBQLTDMOCQ-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.10
Rot. Bonds5

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

[5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol (PubChem CID 155389058) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol
PubChem CID155389058
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name[5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol
SMILESOCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)o1
InChIInChI=1S/C17H12F3N5O2/c18-12-2-1-9(3-11(12)17(19)20)10-4-14-13(21-5-10)6-22-25(14)7-15-23-24-16(8-26)27-15/h1-6,17,26H,7-8H2
InChIKeyGAFKPBQLTDMOCQ-UHFFFAOYSA-N
XLogP3.10
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol?
The IUPAC name of [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol (CID 155389058) is [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol.
What is the SMILES notation for [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol?
The canonical SMILES for [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol is OCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)o1.
What is the InChIKey of [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol?
The InChIKey is GAFKPBQLTDMOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c18-12-2-1-9(3-11(12)17(19)20)10-4-14-13(21-5-10)6-22-25(14)7-15-23-24-16(8-26)27-15/h1-6,17,26H,7-8H2.
What are the key properties of [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol?
[5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol has a molecular weight of 375.31 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazol-2-yl]methanol is sourced from PubChem (CID 155389058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).