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

C16H11F3N6O — CID 155387043

IUPAC2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)nc32)o1
InChIInChI=1S/C16H11F3N6O/c1-8-23-24-14(26-8)7-25-16-13(6-21-25)20-5-12(22-16)9-2-3-11(17)10(4-9)15(18)19/h2-6,15H,7H2,1H3
InChIKeyMLJPZFSEJQWAKY-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.31
Rot. Bonds4

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

2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155387043) has the molecular formula C16H11F3N6O and a molecular weight of 360.30 g/mol. Its IUPAC name is 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155387043
Molecular FormulaC16H11F3N6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)nc32)o1
InChIInChI=1S/C16H11F3N6O/c1-8-23-24-14(26-8)7-25-16-13(6-21-25)20-5-12(22-16)9-2-3-11(17)10(4-9)15(18)19/h2-6,15H,7H2,1H3
InChIKeyMLJPZFSEJQWAKY-UHFFFAOYSA-N
XLogP3.31
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-4-methyl-1,2-oxazole
CID 170984082
2-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
CID 155387060
5-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 155389203
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155399899
1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
CID 155387057
1-[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-ol
CID 155386146
6-[3-(difluoromethyl)-4-fluorophenyl]-N,3-dimethylpyrazin-2-amine
CID 175197348
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[(R)-ethylsulfinyl]methyl]pyrazolo[4,5-b]pyridine
CID 155386056
3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-1,2-oxazole
CID 155388989
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155388869
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(1-methylpyrazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
CID 155388658
2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155388907

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155387043) is 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)nc32)o1.
What is the InChIKey of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is MLJPZFSEJQWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O/c1-8-23-24-14(26-8)7-25-16-13(6-21-25)20-5-12(22-16)9-2-3-11(17)10(4-9)15(18)19/h2-6,15H,7H2,1H3.
What are the key properties of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 360.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155387043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).