(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H12F3N3O — CID 136833444

IUPAC(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@@H](c2cccc(F)c2F)c2cnn(-c3ccc(F)cc3)c2N1
InChIInChI=1S/C18H12F3N3O/c19-10-4-6-11(7-5-10)24-18-14(9-22-24)13(8-16(25)23-18)12-2-1-3-15(20)17(12)21/h1-7,9,13H,8H2,(H,23,25)/t13-/m0/s1
InChIKeyDEFYTUKGUURQBK-ZDUSSCGKSA-N
MW343.31 g/mol
LogP3.76
Rot. Bonds2

About (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136833444) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136833444
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@@H](c2cccc(F)c2F)c2cnn(-c3ccc(F)cc3)c2N1
InChIInChI=1S/C18H12F3N3O/c19-10-4-6-11(7-5-10)24-18-14(9-22-24)13(8-16(25)23-18)12-2-1-3-15(20)17(12)21/h1-7,9,13H,8H2,(H,23,25)/t13-/m0/s1
InChIKeyDEFYTUKGUURQBK-ZDUSSCGKSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(4-fluorophenyl)-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833470
(4R)-4-(2-butoxyphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833368
(7R)-7-(2,3-difluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51718739
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
(4S)-1-(4-fluorophenyl)-4-(3-methoxy-2-prop-2-enoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833379
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569
(4S)-4-(2-methoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833065
(4S)-1-(3-chloro-2-methylphenyl)-4-(2-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833353
(4R)-1-(4-chlorophenyl)-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833288
(4S)-1-phenyl-4-(2-phenylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820531
(4R)-1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833239
(4S)-4-(3-chlorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789587

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136833444) is (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1C[C@@H](c2cccc(F)c2F)c2cnn(-c3ccc(F)cc3)c2N1.
What is the InChIKey of (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DEFYTUKGUURQBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H12F3N3O/c19-10-4-6-11(7-5-10)24-18-14(9-22-24)13(8-16(25)23-18)12-2-1-3-15(20)17(12)21/h1-7,9,13H,8H2,(H,23,25)/t13-/m0/s1.
What are the key properties of (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 343.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136833444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).