1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline

C17H12ClFN4O — CID 73387745

IUPAC1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline
SMILESCOc1cc(F)cc2c1nnc1c2c(-c2ccccc2Cl)nn1C
InChIInChI=1S/C17H12ClFN4O/c1-23-17-14(16(22-23)10-5-3-4-6-12(10)18)11-7-9(19)8-13(24-2)15(11)20-21-17/h3-8H,1-2H3
InChIKeyMMJDOWOZKGXPBB-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.98
Rot. Bonds2

About 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline

1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline (PubChem CID 73387745) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline.

Molecular Properties

Compound Name1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline
PubChem CID73387745
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline
SMILESCOc1cc(F)cc2c1nnc1c2c(-c2ccccc2Cl)nn1C
InChIInChI=1S/C17H12ClFN4O/c1-23-17-14(16(22-23)10-5-3-4-6-12(10)18)11-7-9(19)8-13(24-2)15(11)20-21-17/h3-8H,1-2H3
InChIKeyMMJDOWOZKGXPBB-UHFFFAOYSA-N
XLogP3.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline?
The IUPAC name of 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline (CID 73387745) is 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline.
What is the SMILES notation for 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline?
The canonical SMILES for 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline is COc1cc(F)cc2c1nnc1c2c(-c2ccccc2Cl)nn1C.
What is the InChIKey of 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline?
The InChIKey is MMJDOWOZKGXPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-23-17-14(16(22-23)10-5-3-4-6-12(10)18)11-7-9(19)8-13(24-2)15(11)20-21-17/h3-8H,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline?
1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline has a molecular weight of 342.76 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-8-fluoro-6-methoxy-3-methylpyrazolo[3,4-c]cinnoline is sourced from PubChem (CID 73387745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).