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

C24H15BrFN3O2S — CID 10301021

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate
SMILESO=C(OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1)c1sccc1Br
InChIInChI=1S/C24H15BrFN3O2S/c25-19-8-12-32-23(19)24(30)31-14-15-7-11-29-20(13-15)21(16-5-9-27-10-6-16)22(28-29)17-1-3-18(26)4-2-17/h1-13H,14H2
InChIKeyXSGMESFMESURDF-UHFFFAOYSA-N
MW508.37 g/mol
LogP6.38
Rot. Bonds5

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

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate (PubChem CID 10301021) has the molecular formula C24H15BrFN3O2S and a molecular weight of 508.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate
PubChem CID10301021
Molecular FormulaC24H15BrFN3O2S
Molecular Weight508.37 g/mol
Exact Mass507.01
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate
SMILESO=C(OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1)c1sccc1Br
InChIInChI=1S/C24H15BrFN3O2S/c25-19-8-12-32-23(19)24(30)31-14-15-7-11-29-20(13-15)21(16-5-9-27-10-6-16)22(28-29)17-1-3-18(26)4-2-17/h1-13H,14H2
InChIKeyXSGMESFMESURDF-UHFFFAOYSA-N
XLogP6.38
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.37
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate (CID 10301021) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate is O=C(OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1)c1sccc1Br.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate?
The InChIKey is XSGMESFMESURDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrFN3O2S/c25-19-8-12-32-23(19)24(30)31-14-15-7-11-29-20(13-15)21(16-5-9-27-10-6-16)22(28-29)17-1-3-18(26)4-2-17/h1-13H,14H2.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-bromothiophene-2-carboxylate has a molecular weight of 508.37 g/mol, XLogP of 6.38, 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-5-yl]methyl 3-bromothiophene-2-carboxylate is sourced from PubChem (CID 10301021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).