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

C17H12F3N5O — CID 155388719

IUPAC5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1
InChIInChI=1S/C17H12F3N5O/c1-9-23-16(26-24-9)8-25-15-5-11(6-21-14(15)7-22-25)10-2-3-13(18)12(4-10)17(19)20/h2-7,17H,8H2,1H3
InChIKeyVOIICFPSPGURQN-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.91
Rot. Bonds4

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

5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 155388719) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID155388719
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1
InChIInChI=1S/C17H12F3N5O/c1-9-23-16(26-24-9)8-25-15-5-11(6-21-14(15)7-22-25)10-2-3-13(18)12(4-10)17(19)20/h2-7,17H,8H2,1H3
InChIKeyVOIICFPSPGURQN-UHFFFAOYSA-N
XLogP3.91
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 155388719) is 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1.
What is the InChIKey of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is VOIICFPSPGURQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c1-9-23-16(26-24-9)8-25-15-5-11(6-21-14(15)7-22-25)10-2-3-13(18)12(4-10)17(19)20/h2-7,17H,8H2,1H3.
What are the key properties of 5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 359.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 155388719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).