2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C20H12ClF4N3O2S — CID 142661422

IUPAC2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1cc(-c2c(-c3ccc(F)c(Cl)c3)nn3cc(C(F)(F)F)ccc23)ccn1
InChIInChI=1S/C20H12ClF4N3O2S/c1-31(29,30)17-9-11(6-7-26-17)18-16-5-3-13(20(23,24)25)10-28(16)27-19(18)12-2-4-15(22)14(21)8-12/h2-10H,1H3
InChIKeyNSTWZHGKOJXXPQ-UHFFFAOYSA-N
MW469.85 g/mol
LogP5.28
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine

2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 142661422) has the molecular formula C20H12ClF4N3O2S and a molecular weight of 469.85 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID142661422
Molecular FormulaC20H12ClF4N3O2S
Molecular Weight469.85 g/mol
Exact Mass469.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1cc(-c2c(-c3ccc(F)c(Cl)c3)nn3cc(C(F)(F)F)ccc23)ccn1
InChIInChI=1S/C20H12ClF4N3O2S/c1-31(29,30)17-9-11(6-7-26-17)18-16-5-3-13(20(23,24)25)10-28(16)27-19(18)12-2-4-15(22)14(21)8-12/h2-10H,1H3
InChIKeyNSTWZHGKOJXXPQ-UHFFFAOYSA-N
XLogP5.28
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.85
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 142661422) is 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is CS(=O)(=O)c1cc(-c2c(-c3ccc(F)c(Cl)c3)nn3cc(C(F)(F)F)ccc23)ccn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is NSTWZHGKOJXXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N3O2S/c1-31(29,30)17-9-11(6-7-26-17)18-16-5-3-13(20(23,24)25)10-28(16)27-19(18)12-2-4-15(22)14(21)8-12/h2-10H,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 469.85 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-3-(2-methylsulfonyl-4-pyridinyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 142661422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).