2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone

C17H13ClF2N4O2 — CID 155387030

IUPAC2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)nc21)C1CC1
InChIInChI=1S/C17H13ClF2N4O2/c18-11-4-3-10(5-15(11)26-17(19)20)12-6-21-13-7-22-24(16(13)23-12)8-14(25)9-1-2-9/h3-7,9,17H,1-2,8H2
InChIKeyHEBCYPCRSNKTAF-UHFFFAOYSA-N
MW378.77 g/mol
LogP3.73
Rot. Bonds6

About 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone

2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone (PubChem CID 155387030) has the molecular formula C17H13ClF2N4O2 and a molecular weight of 378.77 g/mol. Its IUPAC name is 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone.

Molecular Properties

Compound Name2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone
PubChem CID155387030
Molecular FormulaC17H13ClF2N4O2
Molecular Weight378.77 g/mol
Exact Mass378.07
IUPAC Name2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)nc21)C1CC1
InChIInChI=1S/C17H13ClF2N4O2/c18-11-4-3-10(5-15(11)26-17(19)20)12-6-21-13-7-22-24(16(13)23-12)8-14(25)9-1-2-9/h3-7,9,17H,1-2,8H2
InChIKeyHEBCYPCRSNKTAF-UHFFFAOYSA-N
XLogP3.73
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone?
The IUPAC name of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone (CID 155387030) is 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone.
What is the SMILES notation for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone?
The canonical SMILES for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone is O=C(Cn1ncc2ncc(-c3ccc(Cl)c(OC(F)F)c3)nc21)C1CC1.
What is the InChIKey of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone?
The InChIKey is HEBCYPCRSNKTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O2/c18-11-4-3-10(5-15(11)26-17(19)20)12-6-21-13-7-22-24(16(13)23-12)8-14(25)9-1-2-9/h3-7,9,17H,1-2,8H2.
What are the key properties of 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone?
2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone has a molecular weight of 378.77 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-chloro-3-(difluoromethoxy)phenyl]pyrazolo[3,4-b]pyrazin-1-yl]-1-cyclopropylethanone is sourced from PubChem (CID 155387030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).