2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one

C25H18FN7O — CID 46897110

IUPAC2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1nc(F)ccc1-n1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)nc-2c1=O
InChIInChI=1S/C25H18FN7O/c1-16-20(11-12-22(26)28-16)33-25(34)24-23(30-33)19-5-2-3-6-21(19)32(29-24)15-17-7-9-18(10-8-17)31-14-4-13-27-31/h2-14H,15H2,1H3
InChIKeyIGXCQYOSZUGOKU-UHFFFAOYSA-N
MW451.47 g/mol
LogP3.76
Rot. Bonds4

About 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one

2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46897110) has the molecular formula C25H18FN7O and a molecular weight of 451.47 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46897110
Molecular FormulaC25H18FN7O
Molecular Weight451.47 g/mol
Exact Mass451.16
IUPAC Name2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1nc(F)ccc1-n1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)nc-2c1=O
InChIInChI=1S/C25H18FN7O/c1-16-20(11-12-22(26)28-16)33-25(34)24-23(30-33)19-5-2-3-6-21(19)32(29-24)15-17-7-9-18(10-8-17)31-14-4-13-27-31/h2-14H,15H2,1H3
InChIKeyIGXCQYOSZUGOKU-UHFFFAOYSA-N
XLogP3.76
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 53.76
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-(2,3-difluoro-4-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46897197
5-[(4-pyrazol-1-ylphenyl)methyl]-2-(thian-4-yl)pyrazolo[4,3-c]cinnolin-3-one
CID 46897388
ethyl 2-[3-oxo-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-2-yl]acetate
CID 131732098
2-(2-fluorophenyl)-5-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46896513
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-pyrazol-1-ylphenyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 52914255
6,9-difluoro-2-[2-(hydroxymethyl)phenyl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 52914256
2-(2-fluorophenyl)-9-hydroxy-5-[(4-pyrazol-1-ylphenyl)methyl]-6,7,8,9-tetrahydropyrazolo[4,3-c]quinolin-3-one
CID 51347629
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
6-chloro-2-[(3R,4R)-3-hydroxyoxan-4-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one
CID 46896809

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46897110) is 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one is Cc1nc(F)ccc1-n1nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)nc-2c1=O.
What is the InChIKey of 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is IGXCQYOSZUGOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN7O/c1-16-20(11-12-22(26)28-16)33-25(34)24-23(30-33)19-5-2-3-6-21(19)32(29-24)15-17-7-9-18(10-8-17)31-14-4-13-27-31/h2-14H,15H2,1H3.
What are the key properties of 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 451.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46897110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).