Camlipixant

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Also known as: Blu-5937, Tb7d2h7mzz, 1621164-74-6, (s)-methyl-2-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-7-methylimidazo[1,2-a]pyridin-3-yl)methyl)morpholine-4-carboxylate, 4-morpholinecarboxylic acid, 2-((2-(2,6-difluoro-4-((methylamino)carbonyl)phenyl)-7-methylimidazo(1,2-a)pyridin-3-yl)methyl)-, methyl ester, (2s)-, Camlipixant [inn]

Molecular Formula

C₂₃H₂₄F₂N₄O₄

Molecular Weight

458.5 g/mol

InChI Key

SEHLMRJSQFAPCJ-HNNXBMFYSA-N

FDA UNII

TB7D2H7MZZ

1 2D Structure

Camlipixant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2S)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

2.1.2 InChI

InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1

2.1.3 InChI Key

SEHLMRJSQFAPCJ-HNNXBMFYSA-N

2.1.4 Canonical SMILES

CC1=CC2=NC(=C(N2C=C1)CC3CN(CCO3)C(=O)OC)C4=C(C=C(C=C4F)C(=O)NC)F

2.1.5 Isomeric SMILES

CC1=CC2=NC(=C(N2C=C1)C[C@H]3CN(CCO3)C(=O)OC)C4=C(C=C(C=C4F)C(=O)NC)F

2.2 Other Identifiers

2.2.1 UNII

TB7D2H7MZZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Blu-5937

2. Methyl (s)-3-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-7-methylimidazo(1,2-a)pyridin-3-yl)methyl)piperidine-1-carboxylate

2.3.2 Depositor-Supplied Synonyms

1. Blu-5937

2. Tb7d2h7mzz

3. 1621164-74-6

4. (s)-methyl-2-((2-(2,6-difluoro-4-(methylcarbamoyl)phenyl)-7-methylimidazo[1,2-a]pyridin-3-yl)methyl)morpholine-4-carboxylate

5. 4-morpholinecarboxylic Acid, 2-((2-(2,6-difluoro-4-((methylamino)carbonyl)phenyl)-7-methylimidazo(1,2-a)pyridin-3-yl)methyl)-, Methyl Ester, (2s)-

6. Camlipixant [inn]

7. Unii-tb7d2h7mzz

8. Chembl5095035

9. Schembl15923275

10. A935056

11. Methyl (2s)-2-({2-[2,6-difluoro-4- (methylcarbamoyl)phenyl]-7-methylimidazo[1,2- A]pyridin-3-yl}methyl)morpholine-4-carboxylate

12. Methyl (s)-2-((2-(2,6-difluoro-4-(methylcarbamoyl)-phenyl)-7-methylimidazo(1,2-a)pyridin-3-yl)methyl)-morpholine-4-carboxylate

2.4 Create Date

2014-08-25

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₄F₂N₄O₄
Molecular Weight	458.5 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	85.2
Heavy Atom Count	33
Formal Charge	0
Complexity	704
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