6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

C21H16FN3O2 — CID 158313941

IUPAC6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3F)nn2c1
InChIInChI=1S/C21H16FN3O2/c1-13-9-10-19-16(11-14-5-4-8-18(23-14)21(26)27)20(24-25(19)12-13)15-6-2-3-7-17(15)22/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyBYOLYCOZJKLWEB-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.13
Rot. Bonds4

About 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 158313941) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID158313941
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3F)nn2c1
InChIInChI=1S/C21H16FN3O2/c1-13-9-10-19-16(11-14-5-4-8-18(23-14)21(26)27)20(24-25(19)12-13)15-6-2-3-7-17(15)22/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyBYOLYCOZJKLWEB-UHFFFAOYSA-N
XLogP4.13
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676255
6-[[6-chloro-2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 123165587
6-[[6-methyl-2-(1-methylcyclopropyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 159391759
6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704894
methyl 4-methyl-6-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 147046443
methyl 6-[(6-amino-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704899
methyl 6-[[6-chloro-2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123259065
6-[(1,6-dimethyl-2-phenylindol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69096857
methyl 6-[[6-(2-methylsulfonylethyl)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 86704895
3-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]-5-(methylsulfanylmethyl)benzoic acid
CID 160774667
methyl 3-(hydroxymethyl)-5-[(6-methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoate
CID 158770822
6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 59226502

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 158313941) is 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is Cc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3F)nn2c1.
What is the InChIKey of 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is BYOLYCOZJKLWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-13-9-10-19-16(11-14-5-4-8-18(23-14)21(26)27)20(24-25(19)12-13)15-6-2-3-7-17(15)22/h2-10,12H,11H2,1H3,(H,26,27).
What are the key properties of 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 361.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 158313941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).