3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one

C22H14FN5O — CID 46872138

IUPAC3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one
SMILESO=c1ccn(-c2cncc3ccccc23)nc1-c1ccnn1-c1ccccc1F
InChIInChI=1S/C22H14FN5O/c23-17-7-3-4-8-18(17)28-19(9-11-25-28)22-21(29)10-12-27(26-22)20-14-24-13-15-5-1-2-6-16(15)20/h1-14H
InChIKeyDMLHVIXUTVQUQY-UHFFFAOYSA-N
MW383.39 g/mol
LogP3.77
Rot. Bonds3

About 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one

3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one (PubChem CID 46872138) has the molecular formula C22H14FN5O and a molecular weight of 383.39 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one
PubChem CID46872138
Molecular FormulaC22H14FN5O
Molecular Weight383.39 g/mol
Exact Mass383.12
IUPAC Name3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one
SMILESO=c1ccn(-c2cncc3ccccc23)nc1-c1ccnn1-c1ccccc1F
InChIInChI=1S/C22H14FN5O/c23-17-7-3-4-8-18(17)28-19(9-11-25-28)22-21(29)10-12-27(26-22)20-14-24-13-15-5-1-2-6-16(15)20/h1-14H
InChIKeyDMLHVIXUTVQUQY-UHFFFAOYSA-N
XLogP3.77
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one (CID 46872138) is 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one is O=c1ccn(-c2cncc3ccccc23)nc1-c1ccnn1-c1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one?
The InChIKey is DMLHVIXUTVQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN5O/c23-17-7-3-4-8-18(17)28-19(9-11-25-28)22-21(29)10-12-27(26-22)20-14-24-13-15-5-1-2-6-16(15)20/h1-14H.
What are the key properties of 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one?
3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one has a molecular weight of 383.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-isoquinolin-4-ylpyridazin-4-one is sourced from PubChem (CID 46872138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).