CAS 2212021-82-2

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2212021-82-2

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Also known as: 2212021-82-2, 5-[(s)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-n-methyl-1-[(1s,2s)-2-methyl-1-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)cyclopropyl]-n-phenyl-1h-indole-2-carboxamide, W9t75ra4p4, Schembl21175292, Schembl30944782, Sy498324

Molecular Formula

C₂₉H₃₂N₄O₄

Molecular Weight

500.6 g/mol

InChI Key

SIYHUHPATYQMMF-YSDGCRRSSA-N

FDA UNII

W9T75RA4P4

1 2D Structure

CAS 2212021-82-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(4S)-2,2-dimethyloxan-4-yl]-N-methyl-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]-N-phenylindole-2-carboxamide

2.1.2 InChI

InChI=1S/C29H32N4O4/c1-18-16-29(18,26-30-27(35)37-31-26)33-23-11-10-19(20-12-13-36-28(2,3)17-20)14-21(23)15-24(33)25(34)32(4)22-8-6-5-7-9-22/h5-11,14-15,18,20H,12-13,16-17H2,1-4H3,(H,30,31,35)/t18-,20-,29-/m0/s1

2.1.3 InChI Key

SIYHUHPATYQMMF-YSDGCRRSSA-N

2.2 Other Identifiers

2.2.1 UNII

W9T75RA4P4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2212021-82-2

2. 5-[(s)-2,2-dimethyltetrahydro-2h-pyran-4-yl]-n-methyl-1-[(1s,2s)-2-methyl-1-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)cyclopropyl]-n-phenyl-1h-indole-2-carboxamide

3. W9t75ra4p4

4. Schembl21175292

5. Schembl30944782

6. Sy498324

7. H81891

8. 1-[(1s,2s)-1-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-n-methyl-n-phenyl-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-1h-indole-2-carboxamide

9. 1h-indole-2-carboxamide, 1-[(1s,2s)-1-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-n-methyl-n-phenyl-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-

10. 5-((4s)-2,2-dimethyloxan-4-yl)-n-methyl-1-[(1s,2s)-2-methyl-1-(5-oxo-4h-1,2,4-oxadiazol-3-yl)cyclopropyl]-n-phenylindole-2-carboxamide

2.4 Create Date

2019-11-02

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₂N₄O₄
Molecular Weight	500.6 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	85.2
Heavy Atom Count	37
Formal Charge	0
Complexity	946
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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