5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C282H308F24N80O7S4 — CID 167583771

IUPAC5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESC[C@@H]1CC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5cnnn5C)ccc43)n2)CN1.Cc1nc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(C)(F)F)no1.Cc1ncoc1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(C)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)s1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CN=C2c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(C)(F)F.Cc1nsc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)n1
InChIInChI=1S/2C25H28F2N6O.C24H27F2N7O.2C24H26F2N6O.C23H26F2N8.C23H25F2N7O.3C23H25F2N7S.C23H24F2N6O.C22H23F2N7S/c2*1-13-5-6-16(11-28-13)30-24-29-12-19(25(4,26)27)23(32-24)18-8-9-20-17(18)7-10-21(31-20)22-14(2)33-34-15(22)3;1-13-16(12-34-33-13)18-6-5-15-19(31-18)11-27-20(15)21-17(24(4,25)26)10-28-22(32-21)30-14-7-8-23(2,3)29-9-14;2*1-13-4-5-15(10-27-13)29-23-28-11-19(24(3,25)26)22(31-23)17-7-9-20-16(17)6-8-21(30-20)18-12-33-32-14(18)2;1-13-4-5-14(10-26-13)29-22-27-11-17(23(2,24)25)21(31-22)16-7-8-18-15(16)6-9-19(30-18)20-12-28-32-33(20)3;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)33-32-21;2*1-12-4-5-14(10-26-12)28-22-27-11-17(23(3,24)25)20(30-22)16-7-8-18-15(16)6-9-19(29-18)21-32-31-13(2)33-21;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)32-33-21;1-13-21(32-12-28-13)19-8-5-15-16(6-7-18(15)30-19)20-17(23(2,24)25)11-27-22(31-20)29-14-4-3-9-26-10-14;1-12-30-31-20(32-12)18-8-5-14-15(6-7-17(14)28-18)19-16(22(2,23)24)11-26-21(29-19)27-13-4-3-9-25-10-13/h2*7-8,10,12-13,16,28H,5-6,9,11H2,1-4H3,(H,29,30,32);5-6,10,12,14,29H,7-9,11H2,1-4H3,(H,28,30,32);2*6-8,11-13,15,27H,4-5,9-10H2,1-3H3,(H,28,29,31);6-7,9,11-14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);2*6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,28,30);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);5-6,8,11-12,14,26H,3-4,7,9-10H2,1-2H3,(H,27,29,31);5-6,8,11,13,25H,3-4,7,9-10H2,1-2H3,(H,26,27,29)/t2*13-,16-;14-;2*13-,15-;13-,14-;4*12-,14-;14-;13-/m100101110000/s1
InChIKeyHNEKVDXWTCOQFN-STSGKMQVSA-N
MW5514.34 g/mol
LogP51.12
Rot. Bonds60

About 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 167583771) has the molecular formula C282H308F24N80O7S4 and a molecular weight of 5514.34 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
PubChem CID167583771
Molecular FormulaC282H308F24N80O7S4
Molecular Weight5514.34 g/mol
Exact Mass5510.47
IUPAC Name5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
SMILESC[C@@H]1CC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5cnnn5C)ccc43)n2)CN1.Cc1nc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(C)(F)F)no1.Cc1ncoc1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(C)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)s1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CN=C2c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(C)(F)F.Cc1nsc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)n1
InChIInChI=1S/2C25H28F2N6O.C24H27F2N7O.2C24H26F2N6O.C23H26F2N8.C23H25F2N7O.3C23H25F2N7S.C23H24F2N6O.C22H23F2N7S/c2*1-13-5-6-16(11-28-13)30-24-29-12-19(25(4,26)27)23(32-24)18-8-9-20-17(18)7-10-21(31-20)22-14(2)33-34-15(22)3;1-13-16(12-34-33-13)18-6-5-15-19(31-18)11-27-20(15)21-17(24(4,25)26)10-28-22(32-21)30-14-7-8-23(2,3)29-9-14;2*1-13-4-5-15(10-27-13)29-23-28-11-19(24(3,25)26)22(31-23)17-7-9-20-16(17)6-8-21(30-20)18-12-33-32-14(18)2;1-13-4-5-14(10-26-13)29-22-27-11-17(23(2,24)25)21(31-22)16-7-8-18-15(16)6-9-19(30-18)20-12-28-32-33(20)3;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)33-32-21;2*1-12-4-5-14(10-26-12)28-22-27-11-17(23(3,24)25)20(30-22)16-7-8-18-15(16)6-9-19(29-18)21-32-31-13(2)33-21;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)32-33-21;1-13-21(32-12-28-13)19-8-5-15-16(6-7-18(15)30-19)20-17(23(2,24)25)11-27-22(31-20)29-14-4-3-9-26-10-14;1-12-30-31-20(32-12)18-8-5-14-15(6-7-17(14)28-18)19-16(22(2,23)24)11-26-21(29-19)27-13-4-3-9-25-10-13/h2*7-8,10,12-13,16,28H,5-6,9,11H2,1-4H3,(H,29,30,32);5-6,10,12,14,29H,7-9,11H2,1-4H3,(H,28,30,32);2*6-8,11-13,15,27H,4-5,9-10H2,1-3H3,(H,28,29,31);6-7,9,11-14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);2*6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,28,30);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);5-6,8,11-12,14,26H,3-4,7,9-10H2,1-2H3,(H,27,29,31);5-6,8,11,13,25H,3-4,7,9-10H2,1-2H3,(H,26,27,29)/t2*13-,16-;14-;2*13-,15-;13-,14-;4*12-,14-;14-;13-/m100101110000/s1
InChIKeyHNEKVDXWTCOQFN-STSGKMQVSA-N
XLogP51.12
TPSA1094.05 Ų
H-Bond Donors24
H-Bond Acceptors91
Rotatable Bonds60
Heavy Atoms397
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005514.34
LogP ≤ 551.12
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1091

Analyze 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 167583771) is 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is C[C@@H]1CC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5cnnn5C)ccc43)n2)CN1.Cc1nc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(C)(F)F)no1.Cc1ncoc1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@@H]3CC[C@@H](C)NC3)ncc2C(C)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)s1.Cc1nnc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)s1.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CC[C@@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CC[C@H](C)NC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(n1)CN=C2c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(C)(F)F.Cc1nsc(-c2ccc3c(n2)CC=C3c2nc(N[C@H]3CC[C@H](C)NC3)ncc2C(C)(F)F)n1.
What is the InChIKey of 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is HNEKVDXWTCOQFN-STSGKMQVSA-N. The full InChI is InChI=1S/2C25H28F2N6O.C24H27F2N7O.2C24H26F2N6O.C23H26F2N8.C23H25F2N7O.3C23H25F2N7S.C23H24F2N6O.C22H23F2N7S/c2*1-13-5-6-16(11-28-13)30-24-29-12-19(25(4,26)27)23(32-24)18-8-9-20-17(18)7-10-21(31-20)22-14(2)33-34-15(22)3;1-13-16(12-34-33-13)18-6-5-15-19(31-18)11-27-20(15)21-17(24(4,25)26)10-28-22(32-21)30-14-7-8-23(2,3)29-9-14;2*1-13-4-5-15(10-27-13)29-23-28-11-19(24(3,25)26)22(31-23)17-7-9-20-16(17)6-8-21(30-20)18-12-33-32-14(18)2;1-13-4-5-14(10-26-13)29-22-27-11-17(23(2,24)25)21(31-22)16-7-8-18-15(16)6-9-19(30-18)20-12-28-32-33(20)3;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)33-32-21;2*1-12-4-5-14(10-26-12)28-22-27-11-17(23(3,24)25)20(30-22)16-7-8-18-15(16)6-9-19(29-18)21-32-31-13(2)33-21;1-12-4-5-14(10-26-12)29-22-27-11-17(23(3,24)25)20(31-22)16-7-8-18-15(16)6-9-19(30-18)21-28-13(2)32-33-21;1-13-21(32-12-28-13)19-8-5-15-16(6-7-18(15)30-19)20-17(23(2,24)25)11-27-22(31-20)29-14-4-3-9-26-10-14;1-12-30-31-20(32-12)18-8-5-14-15(6-7-17(14)28-18)19-16(22(2,23)24)11-26-21(29-19)27-13-4-3-9-25-10-13/h2*7-8,10,12-13,16,28H,5-6,9,11H2,1-4H3,(H,29,30,32);5-6,10,12,14,29H,7-9,11H2,1-4H3,(H,28,30,32);2*6-8,11-13,15,27H,4-5,9-10H2,1-3H3,(H,28,29,31);6-7,9,11-14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);2*6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,28,30);6-7,9,11-12,14,26H,4-5,8,10H2,1-3H3,(H,27,29,31);5-6,8,11-12,14,26H,3-4,7,9-10H2,1-2H3,(H,27,29,31);5-6,8,11,13,25H,3-4,7,9-10H2,1-2H3,(H,26,27,29)/t2*13-,16-;14-;2*13-,15-;13-,14-;4*12-,14-;14-;13-/m100101110000/s1.
What are the key properties of 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?
5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 5514.34 g/mol, XLogP of 51.12, 60 rotatable bonds, 24 hydrogen bond donors, and 91 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-6,6-dimethylpiperidin-3-yl]-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(3-methyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(4-methyl-1,3-oxazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(3-methyl-1,2,4-thiadiazol-5-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S,6S)-6-methylpiperidin-3-yl]-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3R,6R)-6-methylpiperidin-3-yl]-4-[2-(3-methyltriazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[2-(5-methyl-1,3,4-thiadiazol-2-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 167583771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).