Submission Details

SIM-SYN-a98e6a07
Molecule(s):
O=C(CN(C(=O)Nc1ccccc1)c1cccnc1)N1CCN(S(=O)(=O)c2ccccc2)CC1

SIM-SYN-a98e6a07-1

O=C(CN(C(=O)Nc1ccccc1)c1cccnc1)N1CCN(S(=O)(=O)c2ccccc2)CC1

3-aminopyridine-like Check Availability on Manifold View
O=C(CN(C(=O)Nc1ccccc1)c1cccnc1)NC1CC1

SIM-SYN-a98e6a07-2

O=C(CN(C(=O)Nc1ccccc1)c1cccnc1)NC1CC1

3-aminopyridine-like Check Availability on Manifold View
NS(=O)(=O)Cc1cccc(NC(=O)N(CC(=O)NC2CC2)c2cccnc2)c1

SIM-SYN-a98e6a07-3

NS(=O)(=O)Cc1cccc(NC(=O)N(CC(=O)NC2CC2)c2cccnc2)c1

3-aminopyridine-like Check Availability on Manifold View
CC(=O)NCCc1ccncc1N(CC(=O)NC1CC1)C(=O)Nc1ccccc1

SIM-SYN-a98e6a07-4

CC(=O)NCCc1ccncc1N(CC(=O)NC1CC1)C(=O)Nc1ccccc1

3-aminopyridine-like Check Availability on Manifold View
O=C(NC1CC1)C1CCN(c2ccccc2)C(=O)N1c1cccnc1

SIM-SYN-a98e6a07-5

O=C(NC1CC1)C1CCN(c2ccccc2)C(=O)N1c1cccnc1

3-aminopyridine-like Check Availability on Manifold View
O=C(NC1CC1)C1CCCN(c2ccccc2)C(=O)N1c1cccnc1

SIM-SYN-a98e6a07-6

O=C(NC1CC1)C1CCCN(c2ccccc2)C(=O)N1c1cccnc1

3-aminopyridine-like Check Availability on Manifold View
Design Rationale:

Expansion of fragment x0434 combining elements of x0397, x0161, x0731 and x0426. By eye with help from Flare software to check the fit. More complex combinations are clearly possible. As are combinations with the side chain of x0678 rather than x0434.

Inspired By:
Discussion:

Contributor: Simon Williams, Syngenta - Thu, 02 Apr 2020 19:52:54 +0000