6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine

C11H4BrClF2N4 — CID 169121190

IUPAC6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(-n2ncc3c(Cl)nc(Br)nc32)c(F)c1
InChIInChI=1S/C11H4BrClF2N4/c12-11-17-9(13)6-4-16-19(10(6)18-11)8-2-1-5(14)3-7(8)15/h1-4H
InChIKeyQJUIOLZODZNJFF-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.51
Rot. Bonds1

About 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine

6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 169121190) has the molecular formula C11H4BrClF2N4 and a molecular weight of 345.53 g/mol. Its IUPAC name is 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID169121190
Molecular FormulaC11H4BrClF2N4
Molecular Weight345.53 g/mol
Exact Mass343.93
IUPAC Name6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine
SMILESFc1ccc(-n2ncc3c(Cl)nc(Br)nc32)c(F)c1
InChIInChI=1S/C11H4BrClF2N4/c12-11-17-9(13)6-4-16-19(10(6)18-11)8-2-1-5(14)3-7(8)15/h1-4H
InChIKeyQJUIOLZODZNJFF-UHFFFAOYSA-N
XLogP3.51
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine (CID 169121190) is 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine is Fc1ccc(-n2ncc3c(Cl)nc(Br)nc32)c(F)c1.
What is the InChIKey of 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is QJUIOLZODZNJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrClF2N4/c12-11-17-9(13)6-4-16-19(10(6)18-11)8-2-1-5(14)3-7(8)15/h1-4H.
What are the key properties of 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine?
6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 345.53 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-1-(2,4-difluorophenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 169121190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).