2415797-61-2

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Also known as: Ly3502970 hemicalcium, Ly-3502970 hemicalcium, Vi5m9ozv2x, 2415797-61-2, Refchem:1093902, Orforglipron hemicalcium

Molecular Formula

C₉₆H₉₄CaF₄N₂₀O₁₀

Molecular Weight

1804.0 g/mol

InChI Key

QBDWQKSMTIYJPN-IDSDWNPTSA-L

FDA UNII

VI5M9OZV2X

ORFORGLIPRON CALCIUM is a small molecule drug with a maximum clinical trial phase of I (across all indications) and has 3 investigational indications.

1 2D Structure

2415797-61-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium bis(3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-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]indol-1-yl]-2-methylcyclopropyl]-1,2,4-oxadiazol-5-olate)

2.1.2 InChI

InChI=1S/2C48H48F2N10O5.Ca/c2*1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44;/h2*8-11,15-16,18-21,24,27-28,30H,12-14,17,22-23H2,1-7H3,(H,52,54,62);/q;;+2/p-2/t2*27-,28-,30-,48-;/m00./s1

2.1.3 InChI Key

QBDWQKSMTIYJPN-IDSDWNPTSA-L

2.2 Other Identifiers

2.2.1 UNII

VI5M9OZV2X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Ly3502970 Hemicalcium

2. Ly-3502970 Hemicalcium

3. Vi5m9ozv2x

4. 2415797-61-2

5. Refchem:1093902

6. Orforglipron Hemicalcium

7. Chembl5314577

8. Orforglipron Calcium (jan/usan)

9. Orforglipron Calcium [usan]

10. D12529

11. 1,2,4-oxadiazol-5(2h)-one, 3-[(1s,2s)-1-[2-[[(4s)-2-(4-fluoro-3,5-dimethylphenyl)-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]-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-1h-indol-1-yl]-2-methylcyclopropyl]-, Calcium Salt (2:1)

12. Calcium Bis{3-[(1s,2s)-1-({2-(4-fluoro-3,5-dimethylphenyl)-3-({3-[3-(4-fluoro-1-methyl-1h-indazol-5-yl)-2-oxo-2,3-dihydro-1h-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5h-pyrazolo[4,3-c]pyridin-5-yl}carbonyl)-5-[(4s)-2,2-dimethyloxan-4-yl]-1h-indol-1-yl}-2-methylcyclopropyl]-5-oxo-1,2,4-oxadiazol-4(5h)-ide}

2.4 Create Date

2023-04-17

3 Chemical and Physical Properties

Molecular Formula	C₉₆H₉₄CaF₄N₂₀O₁₀
Molecular Weight	1804.0 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	14
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	311
Heavy Atom Count	131
Formal Charge	0
Complexity	1840
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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