2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde

C15H12FN3O3 — CID 164719945

IUPAC2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1C=O
InChIInChI=1S/C15H12FN3O3/c1-19-6-10(9-5-17-18-14(9)15(19)21)8-3-12(16)11(7-20)13(4-8)22-2/h3-7H,1-2H3,(H,17,18)
InChIKeyKNIRELCYJNDZKZ-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.89
Rot. Bonds3

About 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde

2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde (PubChem CID 164719945) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
PubChem CID164719945
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
SMILESCOc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1C=O
InChIInChI=1S/C15H12FN3O3/c1-19-6-10(9-5-17-18-14(9)15(19)21)8-3-12(16)11(7-20)13(4-8)22-2/h3-7H,1-2H3,(H,17,18)
InChIKeyKNIRELCYJNDZKZ-UHFFFAOYSA-N
XLogP1.89
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde?
The IUPAC name of 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde (CID 164719945) is 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde.
What is the SMILES notation for 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde?
The canonical SMILES for 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1C=O.
What is the InChIKey of 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde?
The InChIKey is KNIRELCYJNDZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-19-6-10(9-5-17-18-14(9)15(19)21)8-3-12(16)11(7-20)13(4-8)22-2/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde?
2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde has a molecular weight of 301.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde is sourced from PubChem (CID 164719945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).