1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one

C13H10FN3O — CID 155545562

IUPAC1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C13H10FN3O/c1-8-5-12-11(13(18)16-8)7-15-17(12)10-4-2-3-9(14)6-10/h2-7H,1H3,(H,16,18)
InChIKeyRYHKMZIVQOFLLI-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.16
Rot. Bonds1

About 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one

1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 155545562) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID155545562
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2-c2cccc(F)c2)c(=O)[nH]1
InChIInChI=1S/C13H10FN3O/c1-8-5-12-11(13(18)16-8)7-15-17(12)10-4-2-3-9(14)6-10/h2-7H,1H3,(H,16,18)
InChIKeyRYHKMZIVQOFLLI-UHFFFAOYSA-N
XLogP2.16
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one (CID 155545562) is 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one is Cc1cc2c(cnn2-c2cccc(F)c2)c(=O)[nH]1.
What is the InChIKey of 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is RYHKMZIVQOFLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-8-5-12-11(13(18)16-8)7-15-17(12)10-4-2-3-9(14)6-10/h2-7H,1H3,(H,16,18).
What are the key properties of 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one?
1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 243.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-methyl-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 155545562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).