4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H23N3O3 — CID 135652073

IUPAC4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-13-5-8-16(9-6-13)25-22-21(14(2)24-25)17(12-20(26)23-22)15-7-10-18(27-3)19(11-15)28-4/h5-11,17H,12H2,1-4H3,(H,23,26)
InChIKeyHIMABZVWYZLVPG-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.98
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135652073) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135652073
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCOc1ccc(C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-13-5-8-16(9-6-13)25-22-21(14(2)24-25)17(12-20(26)23-22)15-7-10-18(27-3)19(11-15)28-4/h5-11,17H,12H2,1-4H3,(H,23,26)
InChIKeyHIMABZVWYZLVPG-UHFFFAOYSA-N
XLogP3.98
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135652073) is 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc(C2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is HIMABZVWYZLVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-5-8-16(9-6-13)25-22-21(14(2)24-25)17(12-20(26)23-22)15-7-10-18(27-3)19(11-15)28-4/h5-11,17H,12H2,1-4H3,(H,23,26).
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 377.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135652073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).