methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C20H14FN3O2 — CID 25247950

IUPACmethyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2/c1-26-20(25)16-11-18(13-5-3-2-4-6-13)23-19-17(16)12-22-24(19)15-9-7-14(21)8-10-15/h2-12H,1H3
InChIKeyCUPTUWOETSCYAO-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.01
Rot. Bonds3

About methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 25247950) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID25247950
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Namemethyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)nc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2/c1-26-20(25)16-11-18(13-5-3-2-4-6-13)23-19-17(16)12-22-24(19)15-9-7-14(21)8-10-15/h2-12H,1H3
InChIKeyCUPTUWOETSCYAO-UHFFFAOYSA-N
XLogP4.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247485
methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916264
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486953
methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247525
methyl 3,5-diphenylimidazo[4,5-b]pyridine-7-carboxylate
CID 134833852
propan-2-yl 6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46538389
methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
CID 67005486
methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090924
dimethyl 1-phenylpyrazolo[3,4-b]pyridine-5,6-dicarboxylate
CID 10041105
methyl 2-hydroxy-3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 56543253

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 25247950) is methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccccc2)nc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is CUPTUWOETSCYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-26-20(25)16-11-18(13-5-3-2-4-6-13)23-19-17(16)12-22-24(19)15-9-7-14(21)8-10-15/h2-12H,1H3.
What are the key properties of methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 347.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 25247950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).