6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

C21H16ClN3O3 — CID 86704865

IUPAC6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(Cl)cc3)nn2c1
InChIInChI=1S/C21H16ClN3O3/c1-28-16-9-10-19-17(11-15-3-2-4-18(23-15)21(26)27)20(24-25(19)12-16)13-5-7-14(22)8-6-13/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyGQDNLOROLNHBPU-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.35
Rot. Bonds5

About 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 86704865) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID86704865
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(Cl)cc3)nn2c1
InChIInChI=1S/C21H16ClN3O3/c1-28-16-9-10-19-17(11-15-3-2-4-18(23-15)21(26)27)20(24-25(19)12-16)13-5-7-14(22)8-6-13/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyGQDNLOROLNHBPU-UHFFFAOYSA-N
XLogP4.35
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 86704865) is 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(Cl)cc3)nn2c1.
What is the InChIKey of 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is GQDNLOROLNHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-28-16-9-10-19-17(11-15-3-2-4-18(23-15)21(26)27)20(24-25(19)12-16)13-5-7-14(22)8-6-13/h2-10,12H,11H2,1H3,(H,26,27).
What are the key properties of 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 393.83 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 86704865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).