5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one

C22H15F2N5O2 — CID 44513258

IUPAC5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one
SMILESCOc1cnc2ccc(Cn3nnc4ccn(-c5cc(F)cc(F)c5)c(=O)c43)cc2c1
InChIInChI=1S/C22H15F2N5O2/c1-31-18-7-14-6-13(2-3-19(14)25-11-18)12-29-21-20(26-27-29)4-5-28(22(21)30)17-9-15(23)8-16(24)10-17/h2-11H,12H2,1H3
InChIKeyJMZOGNSTUZDDRE-UHFFFAOYSA-N
MW419.39 g/mol
LogP3.47
Rot. Bonds4

About 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one

5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one (PubChem CID 44513258) has the molecular formula C22H15F2N5O2 and a molecular weight of 419.39 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one
PubChem CID44513258
Molecular FormulaC22H15F2N5O2
Molecular Weight419.39 g/mol
Exact Mass419.12
IUPAC Name5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one
SMILESCOc1cnc2ccc(Cn3nnc4ccn(-c5cc(F)cc(F)c5)c(=O)c43)cc2c1
InChIInChI=1S/C22H15F2N5O2/c1-31-18-7-14-6-13(2-3-19(14)25-11-18)12-29-21-20(26-27-29)4-5-28(22(21)30)17-9-15(23)8-16(24)10-17/h2-11H,12H2,1H3
InChIKeyJMZOGNSTUZDDRE-UHFFFAOYSA-N
XLogP3.47
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one (CID 44513258) is 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one is COc1cnc2ccc(Cn3nnc4ccn(-c5cc(F)cc(F)c5)c(=O)c43)cc2c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one?
The InChIKey is JMZOGNSTUZDDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O2/c1-31-18-7-14-6-13(2-3-19(14)25-11-18)12-29-21-20(26-27-29)4-5-28(22(21)30)17-9-15(23)8-16(24)10-17/h2-11H,12H2,1H3.
What are the key properties of 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one?
5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one has a molecular weight of 419.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-3-[(3-methoxyquinolin-6-yl)methyl]triazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 44513258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).