1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azetidin-1-yl-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone

2.1.2 InChI

InChI=1S/C22H26N4O/c1-14-7-5-8-15(2)19(14)12-23-20-11-18(22(27)25-9-6-10-25)13-26-17(4)16(3)24-21(20)26/h5,7-8,11,13,23H,6,9-10,12H2,1-4H3

2.1.3 InChI Key

FEQFUBYYZYQTOJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)C)CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)N4CCC4

2.2 Other Identifiers

2.2.1 UNII

W9S9KZX5MD

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Zastaprazan [inn]

2. W9s9kzx5md

3. Unii-w9s9kzx5md

4. 2133852-18-1

5. 1-azetidinyl(8-(((2,6-dimethylphenyl)methyl)amino)-2,3-dimethylimidazo(1,2-a)pyridin-6-yl)methanone

6. Methanone, 1-azetidinyl(8-(((2,6-dimethylphenyl)methyl)amino)-2,3-dimethylimidazo(1,2-a)pyridin-6-yl)-

7. Schembl20986992

8. Akos040757321

9. Ms-25766

10. Hy-139557

11. Cs-0204155

2.4 Create Date

2019-07-20

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₆N₄O
Molecular Weight	362.5 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	49.6
Heavy Atom Count	27
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Zastaprazan