API SUPPLIERS

API Suppliers

0

US DMFs Filed

0

CEP/COS Certifications

0

JDMFs Filed

0

Other Certificates

0

Other Suppliers

0

API REF. PRICE (USD / KG)

0

API Market Place

0

INTERMEDIATES

0

DOSSIERS // FDF

USA (Orange Book)

0

Europe

0

Canada

0

Australia

0

South Africa

0

Uploaded Dossiers

0

GLOBAL SALES (USD Million)

U.S. Medicaid

0

Annual Reports

0

FDF Market Place

0

EXCIPIENTS

0

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

0

USFDA Exclusivities

0

DIGITAL CONTENT

Blog #PharmaFlow

0

News

0

REF STANDARD

EDQM

0

USP

0

JP

0

Other Listed Suppliers

0

SERVICES

0

Also known as: Cg-806, 1370466-81-1, 7w3fgr71nn, 1-(3-fluoro-4-(7-(4-methyl-1h-imidazol-2-yl)-1-oxoisoindolin-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea, 1-[3-fluoro-4-[7-(5-methyl-1h-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Cg-806 analog

Molecular Formula

C₂₆H₁₉F₄N₅O₂

Molecular Weight

509.5 g/mol

InChI Key

BOLRZWTVMUHQQU-UHFFFAOYSA-N

FDA UNII

7W3FGR71NN

1 2D Structure

CG-806

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

2.1.2 InChI

InChI=1S/C26H19F4N5O2/c1-13-11-31-23(33-13)19-8-7-17(20-12-32-24(36)22(19)20)18-6-5-16(10-21(18)27)35-25(37)34-15-4-2-3-14(9-15)26(28,29)30/h2-11H,12H2,1H3,(H,31,33)(H,32,36)(H2,34,35,37)

2.1.3 InChI Key

BOLRZWTVMUHQQU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)F)CNC3=O

2.2 Other Identifiers

2.2.1 UNII

7W3FGR71NN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Cg-806

2. 1370466-81-1

3. 7w3fgr71nn

4. 1-(3-fluoro-4-(7-(4-methyl-1h-imidazol-2-yl)-1-oxoisoindolin-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

5. 1-[3-fluoro-4-[7-(5-methyl-1h-imidazol-2-yl)-1-oxo-2,3-dihydroisoindol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

6. Cg-806 Analog

7. Unii-7w3fgr71nn

8. Schembl1292507

9. Glxc-26135

10. Ex-a2932

11. Nsc810717

12. Cg'806; Cg-806

13. Nsc-810717

14. Hy-112646

15. Cs-0058852

16. 1-(3-fluoro-4-(7-(5-methyl-1h-imidazol-2-yl)-1-oxo-2,3-dihydro-1h-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)-urea

17. 1-(3-fluoro-4-(7-(5-methyl-1h-imidazol-2-yl)-1-oxo-2,3-dihydro-1h-isoindo-1-4-yl)-phenyl)-3-(3-trifluoromethyl-phenyl)urea

18. Urea, N-(4-(2,3-dihydro-7-(5-methyl-1h-imidazol-2-yl)-1-oxo-1h-isoindol-4-yl)-3-fluorophenyl)-n'-(3-(trifluoromethyl)phenyl)

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₁₉F₄N₅O₂
Molecular Weight	509.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	509.14748751 g/mol
Monoisotopic Mass	509.14748751 g/mol
Topological Polar Surface Area	98.9 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	844
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1