4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one

C20H16F2N4O2 — CID 134512110

IUPAC4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
SMILESCn1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)c2cnn(C)c2c1=O
InChIInChI=1S/C20H16F2N4O2/c1-25-10-15(14-9-24-26(2)19(14)20(25)27)13-8-12(23)4-6-17(13)28-18-5-3-11(21)7-16(18)22/h3-10H,23H2,1-2H3
InChIKeySXESRDNXWPKHEH-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.59
Rot. Bonds3

About 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one

4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one (PubChem CID 134512110) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
PubChem CID134512110
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
SMILESCn1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)c2cnn(C)c2c1=O
InChIInChI=1S/C20H16F2N4O2/c1-25-10-15(14-9-24-26(2)19(14)20(25)27)13-8-12(23)4-6-17(13)28-18-5-3-11(21)7-16(18)22/h3-10H,23H2,1-2H3
InChIKeySXESRDNXWPKHEH-UHFFFAOYSA-N
XLogP3.59
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.59
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

5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 146524986
[4-[5-amino-2-(2,4-difluorophenoxy)-3-pyridinyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite
CID 146323049
7-[5-amino-2-(2,4-difluorophenoxy)-3-fluorophenyl]-2,5-dimethylpyrazolo[4,3-c]pyridin-4-one
CID 134512273
4-[3-amino-2-(2,4-difluorophenoxy)-4-(2-morpholin-4-ylethylamino)phenyl]-6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridin-7-one
CID 123882775
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
7-[2-(2,4-difluorophenoxy)-5-(2-fluoropropan-2-yl)phenyl]-5-methylthieno[3,2-c]pyridin-4-one
CID 155457710
4-[2-(2,4-difluorophenoxy)-5-propan-2-ylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 135226795
4-[5-amino-2-[(2,4-difluorophenyl)methyl]phenyl]-2-methylisoquinolin-1-one
CID 158491150
4-[3-amino-2-(2,4-difluorophenoxy)-4-hydrazinylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 144852829
[4-[5-(1-chlorocyclopropyl)sulfanyl-2-(2,4-difluorophenoxy)phenyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite
CID 135227180
7-[2-(2,4-difluorophenoxy)-5-(methylamino)phenyl]-5-methyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 134512417
1-[[4-(2,4-difluorophenoxy)-3-(1-iodo-6-methyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfinimidoyl]cyclopropane-1-carbonitrile
CID 135227118

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one (CID 134512110) is 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one is Cn1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)c2cnn(C)c2c1=O.
What is the InChIKey of 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one?
The InChIKey is SXESRDNXWPKHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-25-10-15(14-9-24-26(2)19(14)20(25)27)13-8-12(23)4-6-17(13)28-18-5-3-11(21)7-16(18)22/h3-10H,23H2,1-2H3.
What are the key properties of 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one?
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one has a molecular weight of 382.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 134512110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).