1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6S,7S)-6-fluoro-7-(2-fluoro-5-methylphenyl)-3-(oxan-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

2.1.2 InChI

InChI=1S/C19H21F2N3O3/c1-10-2-3-14(20)12(8-10)16-15(21)9-13-17(22-16)23-19(26)24(18(13)25)11-4-6-27-7-5-11/h2-3,8,11,15-16,22H,4-7,9H2,1H3,(H,23,26)/t15-,16-/m0/s1

2.1.3 InChI Key

NPPSFOUMKWFJKX-HOTGVXAUSA-N

2.2 Other Identifiers

2.2.1 UNII

IE5886BN8T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Myk-224

2. Delocamten (usan)

3. Bms-986435

4. Delocamten [usan]

5. 2417411-02-8

6. Delocamten [inn]

7. Ie5886bn8t

8. Chembl6068426

9. Schembl21981051

10. Schembl29494564

11. D12949

12. (6s,7s)-6-fluoro-7-(2-fluoro-5-methylphenyl)-3-(oxan-4-yl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione

13. Pyrido[2,3-d]pyrimidine-2,4(1h,3h)-dione, 6-fluoro-7-(2-fluoro-5-methylphenyl)-5,6,7,8-tetrahydro-3-(tetrahydro-2h-pyran-4-yl)-, (6s,7s)-

2.4 Create Date

2020-06-27

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₁F₂N₃O₃
Molecular Weight	377.4 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	70.7
Heavy Atom Count	27
Formal Charge	0
Complexity	650
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

Delocamten

Delocamten

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