1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-7-[(4S)-2,2-dimethyloxan-4-yl]indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one

2.1.2 InChI

InChI=1S/C48H46F2N10O5/c1-26-39-36(53-60(30-7-8-35(49)32(22-30)27-5-6-27)42(39)59-19-18-58(46(59)63)38-10-9-37-34(40(38)50)25-51-55(37)4)12-17-56(26)43(61)33-23-31-21-28(29-13-20-64-47(2,3)24-29)11-16-57(31)41(33)48(14-15-48)44-52-45(62)65-54-44/h7-11,16,18-19,21-23,25-27,29H,5-6,12-15,17,20,24H2,1-4H3,(H,52,54,62)/t26-,29-/m0/s1

2.1.3 InChI Key

JMKBTILBGROESC-WNJJXGMVSA-N

2.2 Other Identifiers

2.2.1 UNII

G94JJ74N5Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Elecoglipron [inn]

2. G94jj74n5y

3. Schembl25054448

4. 1,2,4-oxadiazol-5(2h)-one, 3-[1-[2-[[(4s)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2,3-dihydro-2-oxo-1h-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5h-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-7-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-3-indolizinyl]cyclopropyl]-

5. 3011682-49-5

2.4 Create Date

2024-02-03

3 Chemical and Physical Properties

Molecular Formula	C₄₈H₄₆F₂N₁₀O₅
Molecular Weight	880.9 g/mol
XLogP3	6.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	144
Heavy Atom Count	65
Formal Charge	0
Complexity	1970
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Elecoglipron

Elecoglipron

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