2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C16H19N3O — CID 169411275

IUPAC2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCc1ccccc1C1CC(=O)Nc2nn(CC)cc21
InChIInChI=1S/C16H19N3O/c1-3-11-7-5-6-8-12(11)13-9-15(20)17-16-14(13)10-19(4-2)18-16/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKeyLDXAYBYMGWNOQQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.94
Rot. Bonds3

About 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 169411275) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID169411275
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCc1ccccc1C1CC(=O)Nc2nn(CC)cc21
InChIInChI=1S/C16H19N3O/c1-3-11-7-5-6-8-12(11)13-9-15(20)17-16-14(13)10-19(4-2)18-16/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18,20)
InChIKeyLDXAYBYMGWNOQQ-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(2,4,5-trimethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169422316
2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171915522
4-(2,7-dimethoxynaphthalen-1-yl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171910479
4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171912336
2-ethyl-4-(4-methoxy-3-methylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one;formic acid
CID 171339699
2-benzyl-4-(2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169417150
(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97117619
4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421577
2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421402
8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169413926
(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
CID 130615199
4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169419742

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 169411275) is 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is CCc1ccccc1C1CC(=O)Nc2nn(CC)cc21.
What is the InChIKey of 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is LDXAYBYMGWNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-11-7-5-6-8-12(11)13-9-15(20)17-16-14(13)10-19(4-2)18-16/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18,20).
What are the key properties of 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 269.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 169411275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).