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

C25H18FN3O4S2 — CID 10279032

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate
SMILESCS(=O)(=O)c1ccc(C(=O)OCc2ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c2)s1
InChIInChI=1S/C25H18FN3O4S2/c1-35(31,32)22-7-6-21(34-22)25(30)33-15-16-10-13-29-20(14-16)23(17-8-11-27-12-9-17)24(28-29)18-2-4-19(26)5-3-18/h2-14H,15H2,1H3
InChIKeyQZAMEFZNBALTLB-UHFFFAOYSA-N
MW507.57 g/mol
LogP5.02
Rot. Bonds6

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

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate (PubChem CID 10279032) has the molecular formula C25H18FN3O4S2 and a molecular weight of 507.57 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate
PubChem CID10279032
Molecular FormulaC25H18FN3O4S2
Molecular Weight507.57 g/mol
Exact Mass507.07
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate
SMILESCS(=O)(=O)c1ccc(C(=O)OCc2ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c2)s1
InChIInChI=1S/C25H18FN3O4S2/c1-35(31,32)22-7-6-21(34-22)25(30)33-15-16-10-13-29-20(14-16)23(17-8-11-27-12-9-17)24(28-29)18-2-4-19(26)5-3-18/h2-14H,15H2,1H3
InChIKeyQZAMEFZNBALTLB-UHFFFAOYSA-N
XLogP5.02
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.57
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
methyl 3-(N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)sulfamoyl)thiophene-2-carboxylate
CID 71790798
methyl 3-(N-(2-(3-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 72718543
[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 3-bromothiophene-2-carboxylate
CID 10301021
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-7-yl]methyl 3-methylthiophene-2-carboxylate
CID 21027439
Methyl 2-(2,3-difluoro-4-methylphenyl)-4-[2-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-2-oxoethyl]thiophene-3-carboxylate
CID 58191103
[2-(4-Fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiolane-2-carboxylate
CID 58784250
methyl 3-[cyanomethyl-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]sulfamoyl]thiophene-2-carboxylate
CID 87306932
Ethyl 5-[5-(5-fluoro-3-pyridinyl)-2-methylthiophen-3-yl]-1-methylpyrazole-3-carboxylate
CID 118617469

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate (CID 10279032) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate is CS(=O)(=O)c1ccc(C(=O)OCc2ccn3nc(-c4ccc(F)cc4)c(-c4ccncc4)c3c2)s1.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate?
The InChIKey is QZAMEFZNBALTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4S2/c1-35(31,32)22-7-6-21(34-22)25(30)33-15-16-10-13-29-20(14-16)23(17-8-11-27-12-9-17)24(28-29)18-2-4-19(26)5-3-18/h2-14H,15H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate has a molecular weight of 507.57 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 5-methylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 10279032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).