5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde

C18H12FN3O2 — CID 23381195

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C18H12FN3O2/c19-15-6-2-1-4-12(15)10-22-18-14(5-3-9-20-18)17(21-22)16-8-7-13(11-23)24-16/h1-9,11H,10H2
InChIKeyLHWFPLCYGBOOOV-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.69
Rot. Bonds4

About 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde (PubChem CID 23381195) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde
PubChem CID23381195
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1
InChIInChI=1S/C18H12FN3O2/c19-15-6-2-1-4-12(15)10-22-18-14(5-3-9-20-18)17(21-22)16-8-7-13(11-23)24-16/h1-9,11H,10H2
InChIKeyLHWFPLCYGBOOOV-UHFFFAOYSA-N
XLogP3.69
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(Furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 6485369
3-(2-fluorophenyl)-7-(furan-2-yl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406903
6-Amino-N-benzyl-4-(2-furyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 22015504
1-[(3-Chlorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015532
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
3-(4-Bromophenyl)-7-(furan-2-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 8073338
3,4-dihydroquinolin-1(2H)-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1111054
Azepan-1-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1111056
[4-(3-Fluoro-benzoyl)-piperazin-1-yl]-(5-furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 1164940
4-(Furan-2-yl)-1-[(3-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9818556
A2A receptor antagonist 1
CID 9879687
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde (CID 23381195) is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde is O=Cc1ccc(-c2nn(Cc3ccccc3F)c3ncccc23)o1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde?
The InChIKey is LHWFPLCYGBOOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-15-6-2-1-4-12(15)10-22-18-14(5-3-9-20-18)17(21-22)16-8-7-13(11-23)24-16/h1-9,11H,10H2.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde?
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde has a molecular weight of 321.31 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]furan-2-carbaldehyde is sourced from PubChem (CID 23381195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).