1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone

C17H14F3N5O2 — CID 155387007

IUPAC1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)nc21)N1CCC1
InChIInChI=1S/C17H14F3N5O2/c18-11-3-2-10(6-14(11)27-17(19)20)12-7-21-13-8-22-25(16(13)23-12)9-15(26)24-4-1-5-24/h2-3,6-8,17H,1,4-5,9H2
InChIKeyIXRLNMUIQZVMFX-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.47
Rot. Bonds5

About 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone

1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone (PubChem CID 155387007) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone
PubChem CID155387007
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)nc21)N1CCC1
InChIInChI=1S/C17H14F3N5O2/c18-11-3-2-10(6-14(11)27-17(19)20)12-7-21-13-8-22-25(16(13)23-12)9-15(26)24-4-1-5-24/h2-3,6-8,17H,1,4-5,9H2
InChIKeyIXRLNMUIQZVMFX-UHFFFAOYSA-N
XLogP2.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone (CID 155387007) is 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone is O=C(Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)nc21)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone?
The InChIKey is IXRLNMUIQZVMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-11-3-2-10(6-14(11)27-17(19)20)12-7-21-13-8-22-25(16(13)23-12)9-15(26)24-4-1-5-24/h2-3,6-8,17H,1,4-5,9H2.
What are the key properties of 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone?
1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone has a molecular weight of 377.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazin-1-yl]ethanone is sourced from PubChem (CID 155387007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).