6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

C21H16ClN3O3 — CID 123512315

IUPAC6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(-c2nn3cc(Cl)ccc3c2Cc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C21H16ClN3O3/c1-28-16-6-2-4-13(10-16)20-17(19-9-8-14(22)12-25(19)24-20)11-15-5-3-7-18(23-15)21(26)27/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyDTSITWRKWORXKM-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.35
Rot. Bonds5

About 6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid

6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 123512315) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
PubChem CID123512315
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
SMILESCOc1cccc(-c2nn3cc(Cl)ccc3c2Cc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C21H16ClN3O3/c1-28-16-6-2-4-13(10-16)20-17(19-9-8-14(22)12-25(19)24-20)11-15-5-3-7-18(23-15)21(26)27/h2-10,12H,11H2,1H3,(H,26,27)
InChIKeyDTSITWRKWORXKM-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-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid (CID 123512315) is 6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is COc1cccc(-c2nn3cc(Cl)ccc3c2Cc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is DTSITWRKWORXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-28-16-6-2-4-13(10-16)20-17(19-9-8-14(22)12-25(19)24-20)11-15-5-3-7-18(23-15)21(26)27/h2-10,12H,11H2,1H3,(H,26,27).
What are the key properties of 6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid?
6-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[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-[[6-chloro-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 123512315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).