(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H18FN3O — CID 136789569

IUPAC(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN3O/c1-2-13-3-5-14(6-4-13)17-11-19(25)23-20-18(17)12-22-24(20)16-9-7-15(21)8-10-16/h3-10,12,17H,2,11H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyWSAAECJENVSXBI-KRWDZBQOSA-N
MW335.38 g/mol
LogP4.05
Rot. Bonds3

About (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136789569) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136789569
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN3O/c1-2-13-3-5-14(6-4-13)17-11-19(25)23-20-18(17)12-22-24(20)16-9-7-15(21)8-10-16/h3-10,12,17H,2,11H2,1H3,(H,23,25)/t17-/m0/s1
InChIKeyWSAAECJENVSXBI-KRWDZBQOSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826055
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
(4R)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833411
(4S)-1-(4-fluorophenyl)-4-(3-methoxy-4-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833410
(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
(4R)-4-(2,3-difluorophenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833444
methyl 4-[(4R)-1-(4-methylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136833577
(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833112
1-tert-butyl-4-(4-methylsulfanylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632415
(4S)-1-(4-fluorophenyl)-4-(3-methoxy-2-prop-2-enoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833379
(4R)-4-(3-ethoxy-4-propoxyphenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833529

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136789569) is (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(F)cc2)cc1.
What is the InChIKey of (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WSAAECJENVSXBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-2-13-3-5-14(6-4-13)17-11-19(25)23-20-18(17)12-22-24(20)16-9-7-15(21)8-10-16/h3-10,12,17H,2,11H2,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 335.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136789569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).