3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one

C22H22F3N5O3 — CID 146275359

IUPAC3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESO=C1c2ncc(-c3cnc4cc(OCCN5CCOCC5)ccn34)cc2CN1CC(F)(F)F
InChIInChI=1S/C22H22F3N5O3/c23-22(24,25)14-29-13-16-9-15(11-27-20(16)21(29)31)18-12-26-19-10-17(1-2-30(18)19)33-8-5-28-3-6-32-7-4-28/h1-2,9-12H,3-8,13-14H2
InChIKeyTVEKZLDUYMLDBE-UHFFFAOYSA-N
MW461.44 g/mol
LogP2.63
Rot. Bonds6

About 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one

3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 146275359) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID146275359
Molecular FormulaC22H22F3N5O3
Molecular Weight461.44 g/mol
Exact Mass461.17
IUPAC Name3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESO=C1c2ncc(-c3cnc4cc(OCCN5CCOCC5)ccn34)cc2CN1CC(F)(F)F
InChIInChI=1S/C22H22F3N5O3/c23-22(24,25)14-29-13-16-9-15(11-27-20(16)21(29)31)18-12-26-19-10-17(1-2-30(18)19)33-8-5-28-3-6-32-7-4-28/h1-2,9-12H,3-8,13-14H2
InChIKeyTVEKZLDUYMLDBE-UHFFFAOYSA-N
XLogP2.63
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one (CID 146275359) is 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one is O=C1c2ncc(-c3cnc4cc(OCCN5CCOCC5)ccn34)cc2CN1CC(F)(F)F.
What is the InChIKey of 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is TVEKZLDUYMLDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c23-22(24,25)14-29-13-16-9-15(11-27-20(16)21(29)31)18-12-26-19-10-17(1-2-30(18)19)33-8-5-28-3-6-32-7-4-28/h1-2,9-12H,3-8,13-14H2.
What are the key properties of 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one?
3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 461.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(2,2,2-trifluoroethyl)-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 146275359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).