7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one

C20H15F3N4O2 — CID 134512273

IUPAC7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
SMILESCn1cc2c(=O)n(C)cc(-c3cc(N)cc(F)c3Oc3ccc(F)cc3F)c2n1
InChIInChI=1S/C20H15F3N4O2/c1-26-8-13(18-14(20(26)28)9-27(2)25-18)12-6-11(24)7-16(23)19(12)29-17-4-3-10(21)5-15(17)22/h3-9H,24H2,1-2H3
InChIKeyZDRWPZFBNKOCNK-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.73
Rot. Bonds3

About 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one

7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one (PubChem CID 134512273) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
PubChem CID134512273
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
SMILESCn1cc2c(=O)n(C)cc(-c3cc(N)cc(F)c3Oc3ccc(F)cc3F)c2n1
InChIInChI=1S/C20H15F3N4O2/c1-26-8-13(18-14(20(26)28)9-27(2)25-18)12-6-11(24)7-16(23)19(12)29-17-4-3-10(21)5-15(17)22/h3-9H,24H2,1-2H3
InChIKeyZDRWPZFBNKOCNK-UHFFFAOYSA-N
XLogP3.73
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110
[4-[5-amino-2-(2,4-difluorophenoxy)-3-pyridinyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite
CID 146323049
N-[4-(2,4-difluorophenoxy)-3-(5-methyl-4-oxo-2-propan-2-yloxypyrazolo[4,3-c]pyridin-7-yl)phenyl]ethanesulfonamide
CID 134512215
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 146524986
4-[4-(2,4-difluorophenoxy)-1-methylbenzimidazol-5-yl]-6-methyl-1H-pyrazolo[5,4-c]pyridin-7-one
CID 118093906
N-[3-(2,5-dimethyl-4-oxopyrazolo[4,3-c]pyridin-7-yl)-4-(2,4,6-trifluoroanilino)phenyl]ethanesulfonamide
CID 134512567
7-[5-(ethylaminooxyamino)-2-(4-fluoro-2-methylanilino)phenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
CID 142346252
4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 144852829
8-[2-(2,4-difluorophenoxy)-5-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-6-methylpyrido[4,3-d]pyrimidin-5-one
CID 123982512
4-[5-amino-2-[(2,4-difluorophenyl)methyl]phenyl]-2-methylisoquinolin-1-one
CID 158491150
4-(3-aminophenyl)-6-fluoro-2-methylisoquinolin-1-one
CID 134310818
7-[2-(2,4-difluorophenoxy)-5-(methylamino)phenyl]-5-methyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 134512417

Frequently Asked Questions

What is the IUPAC name of 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one (CID 134512273) is 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one is Cn1cc2c(=O)n(C)cc(-c3cc(N)cc(F)c3Oc3ccc(F)cc3F)c2n1.
What is the InChIKey of 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
The InChIKey is ZDRWPZFBNKOCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-26-8-13(18-14(20(26)28)9-27(2)25-18)12-6-11(24)7-16(23)19(12)29-17-4-3-10(21)5-15(17)22/h3-9H,24H2,1-2H3.
What are the key properties of 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one?
7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one has a molecular weight of 400.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 134512273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).