1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

C16H17N3O — CID 135686640

IUPAC1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)[nH]c32)cc1
InChIInChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19-16-15(11(3)18-19)10(2)9-14(20)17-16/h5-9H,4H2,1-3H3,(H,17,20)
InChIKeyBCAQVNHYVLKQJB-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.89
Rot. Bonds2

About 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135686640) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135686640
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(=O)[nH]c32)cc1
InChIInChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19-16-15(11(3)18-19)10(2)9-14(20)17-16/h5-9H,4H2,1-3H3,(H,17,20)
InChIKeyBCAQVNHYVLKQJB-UHFFFAOYSA-N
XLogP2.89
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 3275580
3,4-dimethyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135780270
4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135530976
1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135734247
7-[(4-fluorophenyl)methyl]-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-one
CID 20951849
1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 170916889
3,4-dimethyl-1-(1-phenylethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135413727
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 20944116
5-[(4-ethylanilino)methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135417990
1-(3,5-dichlorophenyl)-4-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 136817813
2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944128
6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine
CID 50793639

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135686640) is 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCc1ccc(-n2nc(C)c3c(C)cc(=O)[nH]c32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BCAQVNHYVLKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-12-5-7-13(8-6-12)19-16-15(11(3)18-19)10(2)9-14(20)17-16/h5-9H,4H2,1-3H3,(H,17,20).
What are the key properties of 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 267.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135686640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).