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Chemistry

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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

Camlipixant
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 Weight 458.5 g/mol
Molecular Formula C23H24F2N4O4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area85.2
Heavy Atom Count33
Formal Charge0
Complexity704
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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