1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-3-[6-(2-methylsulfonyl-2,6-diazaspiro[3.3]heptan-6-yl)pyridin-3-yl]-1H-indazole

2.1.2 InChI

InChI=1S/C25H24Cl2N6O3S/c1-15(23-19(26)9-28-10-20(23)27)36-17-4-5-21-18(7-17)24(31-30-21)16-3-6-22(29-8-16)32-11-25(12-32)13-33(14-25)37(2,34)35/h3-10,15H,11-14H2,1-2H3,(H,30,31)/t15-/m1/s1

2.1.3 InChI Key

JOAFWIHZEBKYQK-OAHLLOKOSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. A1av2

2. Tyra-300

3. Ex-a9759

2.3 Create Date

2024-02-26

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₄Cl₂N₆O₃S
Molecular Weight	559.5 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	113
Heavy Atom Count	37
Formal Charge	0
Complexity	916
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

TYRA-300

TYRA-300

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