1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C21H19N3O3 — CID 171911372

IUPAC1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc2c(cc1C1CC(=O)Nc3c1cnn3Cc1ccccc1)OCO2
InChIInChI=1S/C21H19N3O3/c1-13-7-18-19(27-12-26-18)8-15(13)16-9-20(25)23-21-17(16)10-22-24(21)11-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,23,25)
InChIKeyMHHIAGQUROZPCL-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.44
Rot. Bonds3

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

1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 171911372) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID171911372
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc2c(cc1C1CC(=O)Nc3c1cnn3Cc1ccccc1)OCO2
InChIInChI=1S/C21H19N3O3/c1-13-7-18-19(27-12-26-18)8-15(13)16-9-20(25)23-21-17(16)10-22-24(21)11-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,23,25)
InChIKeyMHHIAGQUROZPCL-UHFFFAOYSA-N
XLogP3.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655913
1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655914
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dichlorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135932968
(4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135897111
2-(1-benzyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)benzonitrile
CID 170502552
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-(3-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135894032
(4S)-1-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135893988
(4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135894036
(4R)-4-(6-chloro-1,3-benzodioxol-5-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737756
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
(4S)-4-phenyl-1-(thiophen-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899685
4-(6-chloro-2-fluoro-3-methylphenyl)-1-[(2-methoxyphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 172673520

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 171911372) is 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc2c(cc1C1CC(=O)Nc3c1cnn3Cc1ccccc1)OCO2.
What is the InChIKey of 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MHHIAGQUROZPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-7-18-19(27-12-26-18)8-15(13)16-9-20(25)23-21-17(16)10-22-24(21)11-14-5-3-2-4-6-14/h2-8,10,16H,9,11-12H2,1H3,(H,23,25).
What are the key properties of 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 361.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(6-methyl-1,3-benzodioxol-5-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 171911372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).