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

C19H20FN3O2 — CID 131984840

IUPAC5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-10-18-17(11-21-23(18)16-6-8-25-9-7-16)19(24)22(13)12-14-2-4-15(20)5-3-14/h2-5,10-11,16H,6-9,12H2,1H3
InChIKeyLUDIBRFXTWLUSU-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.05
Rot. Bonds3

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

5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984840) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
PubChem CID131984840
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCc1cc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-10-18-17(11-21-23(18)16-6-8-25-9-7-16)19(24)22(13)12-14-2-4-15(20)5-3-14/h2-5,10-11,16H,6-9,12H2,1H3
InChIKeyLUDIBRFXTWLUSU-UHFFFAOYSA-N
XLogP3.05
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (CID 131984840) is 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is Cc1cc2c(cnn2C2CCOCC2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is LUDIBRFXTWLUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-10-18-17(11-21-23(18)16-6-8-25-9-7-16)19(24)22(13)12-14-2-4-15(20)5-3-14/h2-5,10-11,16H,6-9,12H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 341.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).