1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine

C14H9F5N4O — CID 178072622

IUPAC1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
SMILESFc1ccc(-c2cnc3c(cnn3CC(F)F)n2)c(OC(F)F)c1
InChIInChI=1S/C14H9F5N4O/c15-7-1-2-8(11(3-7)24-14(18)19)9-4-20-13-10(22-9)5-21-23(13)6-12(16)17/h1-5,12,14H,6H2
InChIKeyWFAZXRVUDCPWPV-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.50
Rot. Bonds5

About 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine

1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine (PubChem CID 178072622) has the molecular formula C14H9F5N4O and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
PubChem CID178072622
Molecular FormulaC14H9F5N4O
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
SMILESFc1ccc(-c2cnc3c(cnn3CC(F)F)n2)c(OC(F)F)c1
InChIInChI=1S/C14H9F5N4O/c15-7-1-2-8(11(3-7)24-14(18)19)9-4-20-13-10(22-9)5-21-23(13)6-12(16)17/h1-5,12,14H,6H2
InChIKeyWFAZXRVUDCPWPV-UHFFFAOYSA-N
XLogP3.50
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
3-chloro-5-[2-(difluoromethoxy)-4-fluorophenyl]-2-(trifluoromethyl)pyrazine
CID 178072918
2-(1,1-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073480
1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
CID 118838147
2-bromo-5-(4-fluoro-2-propan-2-yloxyphenyl)pyrazine
CID 178072988
1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
CID 155387057
2,4-dichloro-1-[2-(difluoromethoxy)-4-fluorophenyl]benzene
CID 119008887
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
2-(2,4-difluorophenyl)quinoxaline
CID 102428437
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
CID 155399998
1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one
CID 155386010
1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105132

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine (CID 178072622) is 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine is Fc1ccc(-c2cnc3c(cnn3CC(F)F)n2)c(OC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine?
The InChIKey is WFAZXRVUDCPWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N4O/c15-7-1-2-8(11(3-7)24-14(18)19)9-4-20-13-10(22-9)5-21-23(13)6-12(16)17/h1-5,12,14H,6H2.
What are the key properties of 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine?
1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine has a molecular weight of 344.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 178072622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).