[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate

C25H18FN3O2S — CID 21027439

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C25H18FN3O2S/c1-16-11-14-32-24(16)25(30)31-15-20-3-2-4-21-22(17-9-12-27-13-10-17)23(28-29(20)21)18-5-7-19(26)8-6-18/h2-14H,15H2,1H3
InChIKeyFVJMBADZSLLOGN-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.93
Rot. Bonds5

About [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate (PubChem CID 21027439) has the molecular formula C25H18FN3O2S and a molecular weight of 443.50 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate
PubChem CID21027439
Molecular FormulaC25H18FN3O2S
Molecular Weight443.50 g/mol
Exact Mass443.11
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C25H18FN3O2S/c1-16-11-14-32-24(16)25(30)31-15-20-3-2-4-21-22(17-9-12-27-13-10-17)23(28-29(20)21)18-5-7-19(26)8-6-18/h2-14H,15H2,1H3
InChIKeyFVJMBADZSLLOGN-UHFFFAOYSA-N
XLogP5.93
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclohexyl 2-thiophen-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137639094
Butyl 2-thiophen-2-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137639359
2-(2-pyridyl)ethyl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 53008848
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 4-sulfamoylbenzoate
CID 10117919
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate
CID 10225420
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate
CID 10279032
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate
CID 10301021
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl acetate
CID 21027440
Ethyl 2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridine-7-carboxylate
CID 21027461
ethyl 3-fluoro-2-[1-methyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanylbenzoate
CID 22978224
Methyl 2-(2,3-difluoro-4-methylphenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylate
CID 58191103
Methyl 5-[1-[2-[(4-fluorophenyl)methoxy]ethyl]pyrazol-3-yl]thiophene-2-carboxylate
CID 58657269

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate (CID 21027439) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate?
The InChIKey is FVJMBADZSLLOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2S/c1-16-11-14-32-24(16)25(30)31-15-20-3-2-4-21-22(17-9-12-27-13-10-17)23(28-29(20)21)18-5-7-19(26)8-6-18/h2-14H,15H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate has a molecular weight of 443.50 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 21027439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).