5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C15H14FN3O2 — CID 66495177

IUPAC5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C)[nH]c2cc(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C15H14FN3O2/c1-9-14-12(17-18(2)15(14)21)7-13(20)19(9)8-10-4-3-5-11(16)6-10/h3-7,17H,8H2,1-2H3
InChIKeyGCYLXAIITJWLCF-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.52
Rot. Bonds2

About 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66495177) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66495177
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C)[nH]c2cc(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C15H14FN3O2/c1-9-14-12(17-18(2)15(14)21)7-13(20)19(9)8-10-4-3-5-11(16)6-10/h3-7,17H,8H2,1-2H3
InChIKeyGCYLXAIITJWLCF-UHFFFAOYSA-N
XLogP1.52
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66495177) is 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(C)[nH]c2cc(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is GCYLXAIITJWLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-14-12(17-18(2)15(14)21)7-13(20)19(9)8-10-4-3-5-11(16)6-10/h3-7,17H,8H2,1-2H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 287.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66495177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).