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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Related Compounds

1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[2-methoxy-4-(1H-pyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24995077
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxybenzoyl)piperazine
CID 16191501
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(3-methoxybenzoyl)piperazine
CID 16190351
2-Methoxy-N-({N'-[(E)-(3-phenyl-1H-pyrazol-4-YL)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 135439730
2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
CID 58091089
5-fluoro-2-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118662912
N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662950
N-[1-(2-fluoro-5-methoxyphenyl)ethyl]-2-methoxy-4-(5-methyl-1H-pyrazol-4-yl)benzamide
CID 118662952
N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662986
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
N-[1-(2,6-difluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663029
2-fluoro-6-methoxy-N-[(1R)-1-phenylethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118663052

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).