methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate

C21H15ClFN3O2 — CID 123642125

IUPACmethyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccccc3F)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H15ClFN3O2/c1-28-21(27)18-8-4-5-14(24-18)11-16-19-10-9-13(22)12-26(19)25-20(16)15-6-2-3-7-17(15)23/h2-10,12H,11H2,1H3
InChIKeyHQFVXJJJQNLPKK-UHFFFAOYSA-N
MW395.82 g/mol
LogP4.57
Rot. Bonds4

About methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate

methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate (PubChem CID 123642125) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
PubChem CID123642125
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC Namemethyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccccc3F)nn3cc(Cl)ccc23)n1
InChIInChI=1S/C21H15ClFN3O2/c1-28-21(27)18-8-4-5-14(24-18)11-16-19-10-9-13(22)12-26(19)25-20(16)15-6-2-3-7-17(15)23/h2-10,12H,11H2,1H3
InChIKeyHQFVXJJJQNLPKK-UHFFFAOYSA-N
XLogP4.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

N-(3,5-dichloropyridin-4-yl)-7-(methoxymethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
CID 59227411
3-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]benzoic acid
CID 60151013
6-[(6-Chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151147
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
6-[(2-Tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151420
6-[(6-Chloro-2-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151421
6-[[6-Chloro-2-(3-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 68184172
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 methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate (CID 123642125) is methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3ccccc3F)nn3cc(Cl)ccc23)n1.
What is the InChIKey of methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
The InChIKey is HQFVXJJJQNLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c1-28-21(27)18-8-4-5-14(24-18)11-16-19-10-9-13(22)12-26(19)25-20(16)15-6-2-3-7-17(15)23/h2-10,12H,11H2,1H3.
What are the key properties of methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate has a molecular weight of 395.82 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 123642125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).