5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid

C25H17FN4O2 — CID 90725695

IUPAC5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)cncc1-c1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C25H17FN4O2/c1-15-20(13-28-14-21(15)25(31)32)18-8-11-30-22(12-18)23(16-6-9-27-10-7-16)24(29-30)17-2-4-19(26)5-3-17/h2-14H,1H3,(H,31,32)
InChIKeyCTZICOJKNGNVGM-UHFFFAOYSA-N
MW424.44 g/mol
LogP5.27
Rot. Bonds4

About 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid

5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid (PubChem CID 90725695) has the molecular formula C25H17FN4O2 and a molecular weight of 424.44 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid
PubChem CID90725695
Molecular FormulaC25H17FN4O2
Molecular Weight424.44 g/mol
Exact Mass424.13
IUPAC Name5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)cncc1-c1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C25H17FN4O2/c1-15-20(13-28-14-21(15)25(31)32)18-8-11-30-22(12-18)23(16-6-9-27-10-7-16)24(29-30)17-2-4-19(26)5-3-17/h2-14H,1H3,(H,31,32)
InChIKeyCTZICOJKNGNVGM-UHFFFAOYSA-N
XLogP5.27
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]-(pyrazolo[1,5-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 68287843
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(pyrazolo[1,5-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 68287853
3-[[[(1R)-1-(2,4-difluorophenyl)propyl]-(pyrazolo[1,5-a]pyridine-2-carbonyl)amino]methyl]benzoic acid
CID 68288297
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
6-[(6-Cyano-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704841
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid (CID 90725695) is 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid is Cc1c(C(=O)O)cncc1-c1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid?
The InChIKey is CTZICOJKNGNVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O2/c1-15-20(13-28-14-21(15)25(31)32)18-8-11-30-22(12-18)23(16-6-9-27-10-7-16)24(29-30)17-2-4-19(26)5-3-17/h2-14H,1H3,(H,31,32).
What are the key properties of 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid?
5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid has a molecular weight of 424.44 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]-4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 90725695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).