4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C26H23N3O3 — CID 135653356

IUPAC4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)CC3c2ccccc2OC)cc1
InChIInChI=1S/C26H23N3O3/c1-31-19-14-12-18(13-15-19)29-26-24(25(28-29)17-8-4-3-5-9-17)21(16-23(30)27-26)20-10-6-7-11-22(20)32-2/h3-15,21H,16H2,1-2H3,(H,27,30)
InChIKeyALSOPIMPJQXBGB-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.03
Rot. Bonds5

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

4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135653356) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135653356
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)CC3c2ccccc2OC)cc1
InChIInChI=1S/C26H23N3O3/c1-31-19-14-12-18(13-15-19)29-26-24(25(28-29)17-8-4-3-5-9-17)21(16-23(30)27-26)20-10-6-7-11-22(20)32-2/h3-15,21H,16H2,1-2H3,(H,27,30)
InChIKeyALSOPIMPJQXBGB-UHFFFAOYSA-N
XLogP5.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135924831
(4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 1480140
(4S)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909863
(4R)-3-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909823
4-(2,3-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621011
(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135873552
4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620906
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135621016
4-(4-fluorophenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135620866
(4S)-3-(4-chlorophenyl)-1-phenyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136678955
(4S)-3-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909827
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135584716

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135653356) is 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)CC3c2ccccc2OC)cc1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ALSOPIMPJQXBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-19-14-12-18(13-15-19)29-26-24(25(28-29)17-8-4-3-5-9-17)21(16-23(30)27-26)20-10-6-7-11-22(20)32-2/h3-15,21H,16H2,1-2H3,(H,27,30).
What are the key properties of 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 425.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135653356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).