2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one

C25H16FN5OS — CID 46896513

IUPAC2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1c2nn(Cc3ccc(-c4cscn4)cc3)c3ccccc3c-2nn1-c1ccccc1F
InChIInChI=1S/C25H16FN5OS/c26-19-6-2-4-8-22(19)31-25(32)24-23(29-31)18-5-1-3-7-21(18)30(28-24)13-16-9-11-17(12-10-16)20-14-33-15-27-20/h1-12,14-15H,13H2
InChIKeyOHEMIWHYHMUMJO-UHFFFAOYSA-N
MW453.50 g/mol
LogP5.00
Rot. Bonds4

About 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one

2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46896513) has the molecular formula C25H16FN5OS and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46896513
Molecular FormulaC25H16FN5OS
Molecular Weight453.50 g/mol
Exact Mass453.11
IUPAC Name2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1c2nn(Cc3ccc(-c4cscn4)cc3)c3ccccc3c-2nn1-c1ccccc1F
InChIInChI=1S/C25H16FN5OS/c26-19-6-2-4-8-22(19)31-25(32)24-23(29-31)18-5-1-3-7-21(18)30(28-24)13-16-9-11-17(12-10-16)20-14-33-15-27-20/h1-12,14-15H,13H2
InChIKeyOHEMIWHYHMUMJO-UHFFFAOYSA-N
XLogP5.00
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46896513) is 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is O=c1c2nn(Cc3ccc(-c4cscn4)cc3)c3ccccc3c-2nn1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is OHEMIWHYHMUMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN5OS/c26-19-6-2-4-8-22(19)31-25(32)24-23(29-31)18-5-1-3-7-21(18)30(28-24)13-16-9-11-17(12-10-16)20-14-33-15-27-20/h1-12,14-15H,13H2.
What are the key properties of 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 453.50 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46896513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).