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Chemistry

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Also known as: 2436472-47-6, Arn-75039, H42w39d3bm, Chembl4871246, Schembl22071837, Ex-a7382
Molecular Formula
C27H30N2O2
Molecular Weight
414.5  g/mol
InChI Key
TWUXCBSMDFLDBC-UHFFFAOYSA-N
FDA UNII
H42W39D3BM

ARN-75039
1 2D Structure

ARN-75039

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
2.1.2 InChI
InChI=1S/C27H30N2O2/c1-18(2)30-22-11-7-20(8-12-22)24-17-29-25(16-28-26(29)15-19(24)3)21-9-13-23(14-10-21)31-27(4,5)6/h7-18H,1-6H3
2.1.3 InChI Key
TWUXCBSMDFLDBC-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
H42W39D3BM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2436472-47-6

2. Arn-75039

3. H42w39d3bm

4. Chembl4871246

5. Schembl22071837

6. Ex-a7382

7. Db-393772

8. 3-(4-(tert-butoxy)phenyl)-6-(4-isopropoxyphenyl)-7-methylimidazo[1,2-a]pyridine

9. 3-[4-(1,1-dimethylethoxy)phenyl]-7-methyl-6-[4-(1-methylethoxy)phenyl]imidazo[1,2-a]pyridine

10. Imidazo[1,2-a]pyridine, 3-[4-(1,1-dimethylethoxy)phenyl]-7-methyl-6-[4-(1-methylethoxy)phenyl]-

2.4 Create Date
2020-06-27
3 Chemical and Physical Properties
Molecular Weight 414.5 g/mol
Molecular Formula C27H30N2O2
XLogP37.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area35.8
Heavy Atom Count31
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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