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

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

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Related Compounds

CID 46896401
CID 46896401
CID 46896402
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CID 90377305
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CID 174268568
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CID 174268840
CID 174268840
CID 175599826
CID 175599826
CID 4411846
CID 4411846
CID 3554793
CID 3554793
CID 46897012
CID 46897012
CID 46897014
CID 46897014
CID 58542114
CID 58542114
CID 86660007
CID 86660007

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).