4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine

C17H9ClF2N4 — CID 86717364

IUPAC4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
SMILESFc1ccc(-c2n[nH]c3nnc(-c4ccccc4)c(Cl)c23)cc1F
InChIInChI=1S/C17H9ClF2N4/c18-14-13-15(10-6-7-11(19)12(20)8-10)21-23-17(13)24-22-16(14)9-4-2-1-3-5-9/h1-8H,(H,21,23,24)
InChIKeyVBPYGLAZFSHEJE-UHFFFAOYSA-N
MW342.74 g/mol
LogP4.62
Rot. Bonds2

About 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine

4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine (PubChem CID 86717364) has the molecular formula C17H9ClF2N4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
PubChem CID86717364
Molecular FormulaC17H9ClF2N4
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC Name4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine
SMILESFc1ccc(-c2n[nH]c3nnc(-c4ccccc4)c(Cl)c23)cc1F
InChIInChI=1S/C17H9ClF2N4/c18-14-13-15(10-6-7-11(19)12(20)8-10)21-23-17(13)24-22-16(14)9-4-2-1-3-5-9/h1-8H,(H,21,23,24)
InChIKeyVBPYGLAZFSHEJE-UHFFFAOYSA-N
XLogP4.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine (CID 86717364) is 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine is Fc1ccc(-c2n[nH]c3nnc(-c4ccccc4)c(Cl)c23)cc1F.
What is the InChIKey of 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
The InChIKey is VBPYGLAZFSHEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF2N4/c18-14-13-15(10-6-7-11(19)12(20)8-10)21-23-17(13)24-22-16(14)9-4-2-1-3-5-9/h1-8H,(H,21,23,24).
What are the key properties of 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine?
4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine has a molecular weight of 342.74 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3,4-difluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 86717364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).