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

C24H16FN7OS — CID 46896401

IUPAC2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1c(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)ccnc1F
InChIInChI=1S/C24H16FN7OS/c1-14-19(8-9-26-23(14)25)32-24(33)22-21(30-32)16-4-2-3-5-20(16)31(29-22)11-15-6-7-17(27-10-15)18-12-34-13-28-18/h2-10,12-13H,11H2,1H3
InChIKeyISSGAWAREAMLNZ-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.10
Rot. Bonds4

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

2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (PubChem CID 46896401) has the molecular formula C24H16FN7OS and a molecular weight of 469.51 g/mol. Its IUPAC name is 2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
PubChem CID46896401
Molecular FormulaC24H16FN7OS
Molecular Weight469.51 g/mol
Exact Mass469.11
IUPAC Name2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one
SMILESCc1c(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)ccnc1F
InChIInChI=1S/C24H16FN7OS/c1-14-19(8-9-26-23(14)25)32-24(33)22-21(30-32)16-4-2-3-5-20(16)31(29-22)11-15-6-7-17(27-10-15)18-12-34-13-28-18/h2-10,12-13H,11H2,1H3
InChIKeyISSGAWAREAMLNZ-UHFFFAOYSA-N
XLogP4.10
TPSA91.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.10
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-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one (CID 46896401) is 2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is Cc1c(-n2nc3c4ccccc4n(Cc4ccc(-c5cscn5)nc4)nc-3c2=O)ccnc1F.
What is the InChIKey of 2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is ISSGAWAREAMLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7OS/c1-14-19(8-9-26-23(14)25)32-24(33)22-21(30-32)16-4-2-3-5-20(16)31(29-22)11-15-6-7-17(27-10-15)18-12-34-13-28-18/h2-10,12-13H,11H2,1H3.
What are the key properties of 2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one?
2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 469.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methyl-4-pyridinyl)-5-[[6-(1,3-thiazol-4-yl)-3-pyridinyl]methyl]pyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 46896401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).