6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C20H17F3N4O3S — CID 165147724

IUPAC6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCS(=O)(=O)c1c(N2Cc3ncc(C(F)(F)F)cc3C2=O)nc2cc(C3CC3)ccn12
InChIInChI=1S/C20H17F3N4O3S/c1-2-31(29,30)19-17(25-16-7-12(11-3-4-11)5-6-26(16)19)27-10-15-14(18(27)28)8-13(9-24-15)20(21,22)23/h5-9,11H,2-4,10H2,1H3
InChIKeyXCGQYANHQXEPPL-UHFFFAOYSA-N
MW450.44 g/mol
LogP3.58
Rot. Bonds4

About 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 165147724) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID165147724
Molecular FormulaC20H17F3N4O3S
Molecular Weight450.44 g/mol
Exact Mass450.10
IUPAC Name6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCS(=O)(=O)c1c(N2Cc3ncc(C(F)(F)F)cc3C2=O)nc2cc(C3CC3)ccn12
InChIInChI=1S/C20H17F3N4O3S/c1-2-31(29,30)19-17(25-16-7-12(11-3-4-11)5-6-26(16)19)27-10-15-14(18(27)28)8-13(9-24-15)20(21,22)23/h5-9,11H,2-4,10H2,1H3
InChIKeyXCGQYANHQXEPPL-UHFFFAOYSA-N
XLogP3.58
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-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-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 167424686
1-[3-ethylsulfonyl-2-[5-oxo-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile
CID 165147730
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-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-6-(trifluoromethoxy)-3H-isoindol-1-one
CID 167424693
2-[3-ethylsulfonyl-7-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyridin-2-yl]-6-(trifluoromethylsulfonyl)-3H-isoindol-1-one
CID 165147732
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 154691490
methyl 2-[[[3-ethylsulfonyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]amino]methyl]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 163759366
3-(7-cyclopropyl-3-methylimidazo[1,2-a]pyridin-2-yl)-7-(trifluoromethyl)quinazolin-4-one
CID 166967702
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-3H-isoindol-1-one
CID 154691455
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-7-(trifluoromethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685651
8-bromo-3-iodo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one;8-cyclopropyl-3-iodo-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 161467962
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685565

Frequently Asked Questions

What is the IUPAC name of 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 165147724) is 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is CCS(=O)(=O)c1c(N2Cc3ncc(C(F)(F)F)cc3C2=O)nc2cc(C3CC3)ccn12.
What is the InChIKey of 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is XCGQYANHQXEPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c1-2-31(29,30)19-17(25-16-7-12(11-3-4-11)5-6-26(16)19)27-10-15-14(18(27)28)8-13(9-24-15)20(21,22)23/h5-9,11H,2-4,10H2,1H3.
What are the key properties of 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 450.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-(trifluoromethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 165147724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).