2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C17H12ClF3N4O3S — CID 169208935

IUPAC2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCS(=O)(=O)c1c(N2Cc3cnc(C(F)(F)F)cc3C2=O)nn2cc(Cl)ccc12
InChIInChI=1S/C17H12ClF3N4O3S/c1-2-29(27,28)14-12-4-3-10(18)8-25(12)23-15(14)24-7-9-6-22-13(17(19,20)21)5-11(9)16(24)26/h3-6,8H,2,7H2,1H3
InChIKeyASXIHRDRHHDJCH-UHFFFAOYSA-N
MW444.82 g/mol
LogP3.36
Rot. Bonds3

About 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one

2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 169208935) has the molecular formula C17H12ClF3N4O3S and a molecular weight of 444.82 g/mol. Its IUPAC name is 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID169208935
Molecular FormulaC17H12ClF3N4O3S
Molecular Weight444.82 g/mol
Exact Mass444.03
IUPAC Name2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCCS(=O)(=O)c1c(N2Cc3cnc(C(F)(F)F)cc3C2=O)nn2cc(Cl)ccc12
InChIInChI=1S/C17H12ClF3N4O3S/c1-2-29(27,28)14-12-4-3-10(18)8-25(12)23-15(14)24-7-9-6-22-13(17(19,20)21)5-11(9)16(24)26/h3-6,8H,2,7H2,1H3
InChIKeyASXIHRDRHHDJCH-UHFFFAOYSA-N
XLogP3.36
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.82
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-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-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
CID 167460567
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 154691490
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-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 154691481
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-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-3H-isoindol-1-one
CID 154691455
2-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-6-(trifluoromethylsulfonyl)-3H-isoindol-1-one
CID 165147732
2-[2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235428
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 118871958
2-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-6-(trifluoromethoxy)-3H-isoindol-1-one
CID 167424693
2-[5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 138472892
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 169208935) is 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is CCS(=O)(=O)c1c(N2Cc3cnc(C(F)(F)F)cc3C2=O)nn2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ASXIHRDRHHDJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O3S/c1-2-29(27,28)14-12-4-3-10(18)8-25(12)23-15(14)24-7-9-6-22-13(17(19,20)21)5-11(9)16(24)26/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 444.82 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-ethylsulfonylpyrazolo[1,5-a]pyridin-2-yl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 169208935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).