(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H14ClN3O2 — CID 136833167

IUPAC(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@H](c2ccc(O)cc2)c2cnn(-c3cccc(Cl)c3)c2N1
InChIInChI=1S/C18H14ClN3O2/c19-12-2-1-3-13(8-12)22-18-16(10-20-22)15(9-17(24)21-18)11-4-6-14(23)7-5-11/h1-8,10,15,23H,9H2,(H,21,24)/t15-/m1/s1
InChIKeyNQTBGJMAYYSGIF-OAHLLOKOSA-N
MW339.78 g/mol
LogP3.71
Rot. Bonds2

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

(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136833167) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID136833167
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESO=C1C[C@H](c2ccc(O)cc2)c2cnn(-c3cccc(Cl)c3)c2N1
InChIInChI=1S/C18H14ClN3O2/c19-12-2-1-3-13(8-12)22-18-16(10-20-22)15(9-17(24)21-18)11-4-6-14(23)7-5-11/h1-8,10,15,23H,9H2,(H,21,24)/t15-/m1/s1
InChIKeyNQTBGJMAYYSGIF-OAHLLOKOSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-(3-chlorophenyl)-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833222
(4S)-4-(3-chlorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789587
(4S)-4-naphthalen-2-yl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833112
(4R)-1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833239
(4R)-1-(3-chloro-2-methylphenyl)-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759700
1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135732933
(4S)-4-(3-fluorophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789583
(4R)-4-(3-bromophenyl)-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833557
4-(3-chloro-4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632846
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569
(4S)-1-phenyl-4-(2-phenylpyrazol-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136820531
methyl 4-[(4R)-1-(4-methylphenyl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 136833577

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136833167) is (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1C[C@H](c2ccc(O)cc2)c2cnn(-c3cccc(Cl)c3)c2N1.
What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NQTBGJMAYYSGIF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-12-2-1-3-13(8-12)22-18-16(10-20-22)15(9-17(24)21-18)11-4-6-14(23)7-5-11/h1-8,10,15,23H,9H2,(H,21,24)/t15-/m1/s1.
What are the key properties of (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
(4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 339.78 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136833167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).