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

C16H16FN3O — CID 135734247

IUPAC1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCc1cc(=O)[nH]c2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C16H16FN3O/c1-3-5-11-8-14(21)18-16-15(11)10(2)19-20(16)13-7-4-6-12(17)9-13/h4,6-9H,3,5H2,1-2H3,(H,18,21)
InChIKeyPBRIRJGBYRSWJK-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.11
Rot. Bonds3

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

1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135734247) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135734247
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCc1cc(=O)[nH]c2c1c(C)nn2-c1cccc(F)c1
InChIInChI=1S/C16H16FN3O/c1-3-5-11-8-14(21)18-16-15(11)10(2)19-20(16)13-7-4-6-12(17)9-13/h4,6-9H,3,5H2,1-2H3,(H,18,21)
InChIKeyPBRIRJGBYRSWJK-UHFFFAOYSA-N
XLogP3.11
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135734247) is 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCCc1cc(=O)[nH]c2c1c(C)nn2-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PBRIRJGBYRSWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-3-5-11-8-14(21)18-16-15(11)10(2)19-20(16)13-7-4-6-12(17)9-13/h4,6-9H,3,5H2,1-2H3,(H,18,21).
What are the key properties of 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 285.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methyl-4-propyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135734247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).