2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one

C24H15F2N7O — CID 46897197

IUPAC2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1c2nn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1-c1ccnc(F)c1F
InChIInChI=1S/C24H15F2N7O/c25-20-19(10-12-27-23(20)26)33-24(34)22-21(30-33)17-4-1-2-5-18(17)32(29-22)14-15-6-8-16(9-7-15)31-13-3-11-28-31/h1-13H,14H2
InChIKeyBUKCDWDKFTUQNG-UHFFFAOYSA-N
MW455.43 g/mol
LogP3.59
Rot. Bonds4

About 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one

2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46897197) has the molecular formula C24H15F2N7O and a molecular weight of 455.43 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46897197
Molecular FormulaC24H15F2N7O
Molecular Weight455.43 g/mol
Exact Mass455.13
IUPAC Name2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESO=c1c2nn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1-c1ccnc(F)c1F
InChIInChI=1S/C24H15F2N7O/c25-20-19(10-12-27-23(20)26)33-24(34)22-21(30-33)17-4-1-2-5-18(17)32(29-22)14-15-6-8-16(9-7-15)31-13-3-11-28-31/h1-13H,14H2
InChIKeyBUKCDWDKFTUQNG-UHFFFAOYSA-N
XLogP3.59
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897295
2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897110
5-[(4-pyrazol-1-ylphenyl)methyl]-2-(thian-4-yl)pyrazolo[4,3-c]cinnolin-3-one
CID 46897388
2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46896513
6,9-difluoro-2-(2-pyrazol-1-ylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 52914255
ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate
CID 131732098
2-(2,3-dimethylphenyl)-5-[[6-(3-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897664
6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 52914256
2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
CID 139237980
2-piperidin-4-yl-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 67111534
4-[(4-pyrazol-1-ylphenyl)methyl]quinoline
CID 174923169
2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one
CID 51347629

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46897197) is 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one is O=c1c2nn(Cc3ccc(-n4cccn4)cc3)c3ccccc3c-2nn1-c1ccnc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is BUKCDWDKFTUQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F2N7O/c25-20-19(10-12-27-23(20)26)33-24(34)22-21(30-33)17-4-1-2-5-18(17)32(29-22)14-15-6-8-16(9-7-15)31-13-3-11-28-31/h1-13H,14H2.
What are the key properties of 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 455.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46897197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).