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

C14H12ClN3O — CID 135823739

IUPAC5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(Cl)c(C)c12
InChIInChI=1S/C14H12ClN3O/c1-8-11-9(2)17-18(10-6-4-3-5-7-10)13(11)16-14(19)12(8)15/h3-7H,1-2H3,(H,16,19)
InChIKeyAAPXDZIFTZJFPD-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.98
Rot. Bonds1

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

5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135823739) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135823739
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c(Cl)c(C)c12
InChIInChI=1S/C14H12ClN3O/c1-8-11-9(2)17-18(10-6-4-3-5-7-10)13(11)16-14(19)12(8)15/h3-7H,1-2H3,(H,16,19)
InChIKeyAAPXDZIFTZJFPD-UHFFFAOYSA-N
XLogP2.98
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135530976
4-(4-bromophenyl)-3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135856974
1-methyl-3-(4-pyrrolidin-1-ylphenyl)-4H-pyrazolo[5,4-c]isoquinolin-5-one;hydrochloride
CID 135621720
(11Z)-11-(1-anilinoethylidene)-3-methyl-5,12-diphenyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3-triene-8,10-dione
CID 136716740
6-(2-chlorophenyl)-1-(4-fluorophenyl)-5-hydroxy-3-methyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137303541
N-(3-methyl-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 135442636
11-(chloromethyl)-3-methyl-5-phenyl-7-selena-4,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,11-tetraen-9-one
CID 137228477
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
5-[[(2-fluorophenyl)methylamino]methyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135802727
1-(3-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 170916889
N-(3,5-dimethylphenyl)-3-methyl-4-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
CID 135551980
5-chloro-3-methyl-1-phenylpyrazole
CID 2735771

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135823739) is 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)c(Cl)c(C)c12.
What is the InChIKey of 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is AAPXDZIFTZJFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-11-9(2)17-18(10-6-4-3-5-7-10)13(11)16-14(19)12(8)15/h3-7H,1-2H3,(H,16,19).
What are the key properties of 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 273.72 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,4-dimethyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135823739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).