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

C25H17FN4O2 — CID 10224178

IUPAC[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate
SMILESO=C(OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1)c1cccnc1
InChIInChI=1S/C25H17FN4O2/c26-21-5-3-19(4-6-21)24-23(18-7-11-27-12-8-18)22-14-17(9-13-30(22)29-24)16-32-25(31)20-2-1-10-28-15-20/h1-15H,16H2
InChIKeyLMKINMREELXVJV-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.95
Rot. Bonds5

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

[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate (PubChem CID 10224178) has the molecular formula C25H17FN4O2 and a molecular weight of 424.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate
PubChem CID10224178
Molecular FormulaC25H17FN4O2
Molecular Weight424.44 g/mol
Exact Mass424.13
IUPAC Name[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate
SMILESO=C(OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1)c1cccnc1
InChIInChI=1S/C25H17FN4O2/c26-21-5-3-19(4-6-21)24-23(18-7-11-27-12-8-18)22-14-17(9-13-30(22)29-24)16-32-25(31)20-2-1-10-28-15-20/h1-15H,16H2
InChIKeyLMKINMREELXVJV-UHFFFAOYSA-N
XLogP4.95
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.95
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 pyridine-3-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate (CID 10224178) is [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate is O=C(OCc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1)c1cccnc1.
What is the InChIKey of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate?
The InChIKey is LMKINMREELXVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O2/c26-21-5-3-19(4-6-21)24-23(18-7-11-27-12-8-18)22-14-17(9-13-30(22)29-24)16-32-25(31)20-2-1-10-28-15-20/h1-15H,16H2.
What are the key properties of [2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate?
[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl pyridine-3-carboxylate has a molecular weight of 424.44 g/mol, XLogP of 4.95, 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 pyridine-3-carboxylate is sourced from PubChem (CID 10224178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).