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

C14H12ClN3O — CID 135712905

IUPAC4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C14H12ClN3O/c1-8-13-11(9-3-5-10(15)6-4-9)7-12(19)16-14(13)18(2)17-8/h3-7H,1-2H3,(H,16,19)
InChIKeyDYVPQHGXOHRONE-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.89
Rot. Bonds1

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

4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135712905) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135712905
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(C)c2[nH]c(=O)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C14H12ClN3O/c1-8-13-11(9-3-5-10(15)6-4-9)7-12(19)16-14(13)18(2)17-8/h3-7H,1-2H3,(H,16,19)
InChIKeyDYVPQHGXOHRONE-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135712905) is 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(C)c2[nH]c(=O)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is DYVPQHGXOHRONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-13-11(9-3-5-10(15)6-4-9)7-12(19)16-14(13)18(2)17-8/h3-7H,1-2H3,(H,16,19).
What are the key properties of 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 273.72 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1,3-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135712905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).