5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C16H17N3O — CID 135410678

IUPAC5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C16H17N3O/c1-4-13-10(2)14-11(3)18-19(15(14)17-16(13)20)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,17,20)
InChIKeyCPAKPOBHHBCRSS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.89
Rot. Bonds2

About 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135410678) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135410678
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C16H17N3O/c1-4-13-10(2)14-11(3)18-19(15(14)17-16(13)20)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,17,20)
InChIKeyCPAKPOBHHBCRSS-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

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
2H-Pyrazolo(4,3-c)pyridine-4,6-diol, 3-amino-2-phenyl-
CID 135419024
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135410678) is 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCc1c(C)c2c(C)nn(-c3ccccc3)c2[nH]c1=O.
What is the InChIKey of 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CPAKPOBHHBCRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-13-10(2)14-11(3)18-19(15(14)17-16(13)20)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,17,20).
What are the key properties of 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-ethyl-3,4-dimethyl-1-phenyl-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 5-ethyl-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135410678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).