1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

acetic acid;7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

2.1.2 InChI

InChI=1S/C24H30N6O3S.C2H4O2/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)21-14-22-23(27-9-8-26-22)24(29-21)28-16-20-15-25-10-13-33-20;1-2(3)4/h2-5,8-9,14,18,20,25H,6-7,10-13,15-16H2,1H3,(H,28,29);1H3,(H,3,4)/t20-;/m0./s1

2.1.3 InChI Key

QBCIPPQWMOBZQB-BDQAORGHSA-N

2.2 Other Identifiers

2.2.1 UNII

F8XNY041CM

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. F8xny041cm

2. Unii-f8xny041cm

3. 2288850-57-5

4. Sovleplenib Acetate (usan)

5. Sovleplenib Acetate [usan]

6. (s)-7-(4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-n-(morpholin-2-ylmethyl)pyrido(4,3-b)pyrazin-5-amine Acetate

7. Pyrido(3,4-b)pyrazin-5-amine, 7-(4-(1-(methylsulfonyl)-4-piperidinyl)phenyl)-n-((2s)-2-morpholinylmethyl)-, Acetate (1:1)

8. Pyrido[3,4-b]pyrazin-5-amine, 7-[4-[1-(methylsulfonyl)-4-piperidinyl]phenyl]-n-[(2s)-2-morpholinylmethyl]-, Acetate (1:1)

9. Schembl22977619

10. Schembl29456586

11. D12954

12. 7-[4-[1-(methylsulfonyl)-4-piperidinyl]phenyl]-n-[(2s)-2-morpholinylmethyl]pyrido[3,4-b]pyrazin-5-amine Acetate

13. 7-{4-[1-(methanesulfonyl)piperidin-4-yl]phenyl}-n-{[(2s)-morpholin-2-yl]methyl}pyrido[3,4-b]pyrazin-5-amine Acetate

2.4 Create Date

2021-08-21

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₄N₆O₅S
Molecular Weight	542.7 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	155
Heavy Atom Count	38
Formal Charge	0
Complexity	779
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	2

Sovleplenib Acetate

Sovleplenib acetate

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