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

C25H18FN3O2S — CID 10225420

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C25H18FN3O2S/c1-16-9-13-32-24(16)25(30)31-15-17-8-12-29-21(14-17)22(18-6-10-27-11-7-18)23(28-29)19-2-4-20(26)5-3-19/h2-14H,15H2,1H3
InChIKeyRBDCRUSYQKIRNY-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.93
Rot. Bonds5

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

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate (PubChem CID 10225420) 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-5-yl]methyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate
PubChem CID10225420
Molecular FormulaC25H18FN3O2S
Molecular Weight443.50 g/mol
Exact Mass443.11
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C25H18FN3O2S/c1-16-9-13-32-24(16)25(30)31-15-17-8-12-29-21(14-17)22(18-6-10-27-11-7-18)23(28-29)19-2-4-20(26)5-3-19/h2-14H,15H2,1H3
InChIKeyRBDCRUSYQKIRNY-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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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate (CID 10225420) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate?
The InChIKey is RBDCRUSYQKIRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O2S/c1-16-9-13-32-24(16)25(30)31-15-17-8-12-29-21(14-17)22(18-6-10-27-11-7-18)23(28-29)19-2-4-20(26)5-3-19/h2-14H,15H2,1H3.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl 3-methylthiophene-2-carboxylate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-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-5-yl]methyl 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 10225420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).