6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one

C19H12F5N3O5S — CID 167460567

IUPAC6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
SMILESCCS(=O)(=O)c1c(N2Cc3cc4c(cc3C2=O)OC(F)(F)O4)nn2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H12F5N3O5S/c1-2-33(29,30)15-12-4-3-10(18(20,21)22)8-27(12)25-16(15)26-7-9-5-13-14(6-11(9)17(26)28)32-19(23,24)31-13/h3-6,8H,2,7H2,1H3
InChIKeyVVWBWBIHVFFQMH-UHFFFAOYSA-N
MW489.38 g/mol
LogP3.63
Rot. Bonds3

About 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one

6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one (PubChem CID 167460567) has the molecular formula C19H12F5N3O5S and a molecular weight of 489.38 g/mol. Its IUPAC name is 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one.

Molecular Properties

Compound Name6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
PubChem CID167460567
Molecular FormulaC19H12F5N3O5S
Molecular Weight489.38 g/mol
Exact Mass489.04
IUPAC Name6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
SMILESCCS(=O)(=O)c1c(N2Cc3cc4c(cc3C2=O)OC(F)(F)O4)nn2cc(C(F)(F)F)ccc12
InChIInChI=1S/C19H12F5N3O5S/c1-2-33(29,30)15-12-4-3-10(18(20,21)22)8-27(12)25-16(15)26-7-9-5-13-14(6-11(9)17(26)28)32-19(23,24)31-13/h3-6,8H,2,7H2,1H3
InChIKeyVVWBWBIHVFFQMH-UHFFFAOYSA-N
XLogP3.63
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-ethylsulfonyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
CID 167460547
2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 169208935
6-[5-ethylsulfonyl-1-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]imidazol-4-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
CID 162746297
6-(5-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 169208947
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-3H-isoindol-1-one
CID 154691455
2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
CID 162746312
3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 175835574
6-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-2,2-difluoro-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
CID 175695062
2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 154691481
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 154691490
2-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-6-(trifluoromethylsulfonyl)-3H-isoindol-1-one
CID 165147732
2-[3-(diethylaminomethyl)-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-4-yl]-3H-isoindol-1-one
CID 19387014

Frequently Asked Questions

What is the IUPAC name of 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one?
The IUPAC name of 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one (CID 167460567) is 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one.
What is the SMILES notation for 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one?
The canonical SMILES for 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one is CCS(=O)(=O)c1c(N2Cc3cc4c(cc3C2=O)OC(F)(F)O4)nn2cc(C(F)(F)F)ccc12.
What is the InChIKey of 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one?
The InChIKey is VVWBWBIHVFFQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O5S/c1-2-33(29,30)15-12-4-3-10(18(20,21)22)8-27(12)25-16(15)26-7-9-5-13-14(6-11(9)17(26)28)32-19(23,24)31-13/h3-6,8H,2,7H2,1H3.
What are the key properties of 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one?
6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one has a molecular weight of 489.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethylsulfonyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one is sourced from PubChem (CID 167460567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).