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

C14H12FN3O — CID 135648653

IUPAC1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2-c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O/c1-8-7-12(19)16-14-13(8)9(2)17-18(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,19)
InChIKeyBWFYFVLNJJMZAC-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.47
Rot. Bonds1

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

1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135648653) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135648653
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1c(C)nn2-c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O/c1-8-7-12(19)16-14-13(8)9(2)17-18(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,19)
InChIKeyBWFYFVLNJJMZAC-UHFFFAOYSA-N
XLogP2.47
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135648653) is 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1c(C)nn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BWFYFVLNJJMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-8-7-12(19)16-14-13(8)9(2)17-18(14)11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,19).
What are the key properties of 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 257.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135648653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).