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

C25H19FN8O — CID 46897106

IUPAC2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1nc(F)ccc1-n1nc2c3ccccc3n(Cc3ccc(-c4cnn(C)c4)nc3)nc-2c1=O
InChIInChI=1S/C25H19FN8O/c1-15-20(9-10-22(26)29-15)34-25(35)24-23(31-34)18-5-3-4-6-21(18)33(30-24)13-16-7-8-19(27-11-16)17-12-28-32(2)14-17/h3-12,14H,13H2,1-2H3
InChIKeyHRPKCAXITZCYRE-UHFFFAOYSA-N
MW466.48 g/mol
LogP3.37
Rot. Bonds4

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

2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46897106) has the molecular formula C25H19FN8O and a molecular weight of 466.48 g/mol. Its IUPAC name is 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46897106
Molecular FormulaC25H19FN8O
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC Name2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1nc(F)ccc1-n1nc2c3ccccc3n(Cc3ccc(-c4cnn(C)c4)nc3)nc-2c1=O
InChIInChI=1S/C25H19FN8O/c1-15-20(9-10-22(26)29-15)34-25(35)24-23(31-34)18-5-3-4-6-21(18)33(30-24)13-16-7-8-19(27-11-16)17-12-28-32(2)14-17/h3-12,14H,13H2,1-2H3
InChIKeyHRPKCAXITZCYRE-UHFFFAOYSA-N
XLogP3.37
TPSA96.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46897106) is 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is Cc1nc(F)ccc1-n1nc2c3ccccc3n(Cc3ccc(-c4cnn(C)c4)nc3)nc-2c1=O.
What is the InChIKey of 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is HRPKCAXITZCYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8O/c1-15-20(9-10-22(26)29-15)34-25(35)24-23(31-34)18-5-3-4-6-21(18)33(30-24)13-16-7-8-19(27-11-16)17-12-28-32(2)14-17/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 466.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-methyl-3-pyridinyl)-5-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46897106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).