1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(4S)-2,2-dimethyloxan-4-yl]-N-methyl-N-phenyl-1H-indole-2-carboxamide

2.1.2 InChI

InChI=1S/C23H26N2O2/c1-23(2)15-17(11-12-27-23)16-9-10-20-18(13-16)14-21(24-20)22(26)25(3)19-7-5-4-6-8-19/h4-10,13-14,17,24H,11-12,15H2,1-3H3/t17-/m0/s1

2.1.3 InChI Key

QVAFKQGZWRFOAC-KRWDZBQOSA-N

2.2 Other Identifiers

2.2.1 UNII

Y325GZU2L4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2212021-79-7

2. 5-((4s)-2,2-dimethyloxan-4-yl)-n-methyl-n-phenyl-1h-indole-2-carboxamide

3. 5-[(4s)-2,2-dimethyloxan-4-yl]-n-methyl-n-phenyl-1h-indole-2-carboxamide

4. Orforglipron Impurity 1

5. N-methyl-n-phenyl-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-1h-indole-2-carboxamide

6. Y325gzu2l4

7. Schembl21175333

8. Mfcd35453069

9. At47108

10. 1h-indole-2-carboxamide, N-methyl-n-phenyl-5-[(4s)-tetrahydro-2,2-dimethyl-2h-pyran-4-yl]-

2.4 Create Date

2019-11-02

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₆N₂O₂
Molecular Weight	362.5 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	45.3
Heavy Atom Count	27
Formal Charge	0
Complexity	528
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

CAS 2212021-79-7

CAS 2212021-79-7

CHEMISTRY

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