4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile

C291H289F36N67O10 — CID 163477449

IUPAC4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile
SMILESCOCCN[C@@H]1CC[C@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3cc(C#N)ccc32)n1.COCCN[C@H]1CC[C@@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3cc(C#N)ccc32)n1.Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@@H]4C[C@@H]5CC[C@H]4N5)ncc3C(F)(F)F)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@H]4C[C@H]5CC[C@@H]4N5)ncc3C(F)(F)F)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@@H]2C[C@@H]3CC[C@H]2N3)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2CCC[C@@H]2N2CCCC2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2C[C@H]3CC[C@@H]2N3)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2C[C@@H]3CCN(C3)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCC[C@@H]2N2CCCC2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2C[C@H]3CCN(C3)C2)ncc1C(F)(F)F.N#Cc1ccc2c(c1)CC=C2c1nc(N[C@@H]2CC[C@H]2N2CCCC2)ncc1C(F)(F)F.N#Cc1ccc2c(c1)CC=C2c1nc(N[C@H]2CC[C@@H]2N2CCCC2)ncc1C(F)(F)F
InChIInChI=1S/C28H30F3N5O.C27H29F3N6O.2C25H25F3N6O.2C25H24F3N5O.2C23H22F3N7O.2C23H22F3N5.2C22H22F3N5O/c1-16-25(17(2)37-35-16)19-9-10-20-18(14-19)8-11-21(20)26-22(28(29,30)31)15-32-27(34-26)33-23-6-5-7-24(23)36-12-3-4-13-36;1-15-24(16(2)37-35-15)22-11-8-17-18(9-10-20(17)32-22)25-19(27(28,29)30)14-31-26(34-25)33-21-6-5-7-23(21)36-12-3-4-13-36;2*1-13-22(14(2)35-33-13)21-6-3-17-18(4-5-20(17)31-21)23-19(25(26,27)28)10-29-24(32-23)30-16-9-15-7-8-34(11-15)12-16;2*1-12-22(13(2)34-33-12)15-4-6-17-14(9-15)3-7-18(17)23-19(25(26,27)28)11-29-24(32-23)31-21-10-16-5-8-20(21)30-16;2*1-10-19(11(2)34-33-10)17-6-4-13-14(8-27-21(13)30-17)20-15(23(24,25)26)9-28-22(32-20)31-18-7-12-3-5-16(18)29-12;2*24-23(25,26)18-13-28-22(29-19-7-8-20(19)31-9-1-2-10-31)30-21(18)17-6-4-15-11-14(12-27)3-5-16(15)17;2*1-31-9-8-27-18-6-7-19(18)29-21-28-12-17(22(23,24)25)20(30-21)16-5-3-14-10-13(11-26)2-4-15(14)16/h9-11,14-15,23-24H,3-8,12-13H2,1-2H3,(H,32,33,34);8-9,11,14,21,23H,3-7,10,12-13H2,1-2H3,(H,31,33,34);2*3-4,6,10,15-16H,5,7-9,11-12H2,1-2H3,(H,29,30,32);2*4,6-7,9,11,16,20-21,30H,3,5,8,10H2,1-2H3,(H,29,31,32);2*4,6,8-9,12,16,18,29H,3,5,7H2,1-2H3,(H,27,30)(H,28,31,32);2*3,5-6,11,13,19-20H,1-2,4,7-10H2,(H,28,29,30);2*2,4-5,10,12,18-19,27H,3,6-9H2,1H3,(H,28,29,30)/t23-,24-;21-,23-;2*15-,16+;2*16-,20+,21+;2*12-,16+,18+;2*19-,20-;2*18-,19-/m001010101010/s1
InChIKeyCBRFOOSAEVYSRN-OSTAQZODSA-N
MW5568.90 g/mol
LogP56.28
Rot. Bonds56

About 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile

4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile (PubChem CID 163477449) has the molecular formula C291H289F36N67O10 and a molecular weight of 5568.90 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile
PubChem CID163477449
Molecular FormulaC291H289F36N67O10
Molecular Weight5568.90 g/mol
Exact Mass5565.36
IUPAC Name4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile
SMILESCOCCN[C@@H]1CC[C@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3cc(C#N)ccc32)n1.COCCN[C@H]1CC[C@@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3cc(C#N)ccc32)n1.Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@@H]4C[C@@H]5CC[C@H]4N5)ncc3C(F)(F)F)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@H]4C[C@H]5CC[C@@H]4N5)ncc3C(F)(F)F)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@@H]2C[C@@H]3CC[C@H]2N3)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2CCC[C@@H]2N2CCCC2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2C[C@H]3CC[C@@H]2N3)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2C[C@@H]3CCN(C3)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCC[C@@H]2N2CCCC2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2C[C@H]3CCN(C3)C2)ncc1C(F)(F)F.N#Cc1ccc2c(c1)CC=C2c1nc(N[C@@H]2CC[C@H]2N2CCCC2)ncc1C(F)(F)F.N#Cc1ccc2c(c1)CC=C2c1nc(N[C@H]2CC[C@@H]2N2CCCC2)ncc1C(F)(F)F
InChIInChI=1S/C28H30F3N5O.C27H29F3N6O.2C25H25F3N6O.2C25H24F3N5O.2C23H22F3N7O.2C23H22F3N5.2C22H22F3N5O/c1-16-25(17(2)37-35-16)19-9-10-20-18(14-19)8-11-21(20)26-22(28(29,30)31)15-32-27(34-26)33-23-6-5-7-24(23)36-12-3-4-13-36;1-15-24(16(2)37-35-15)22-11-8-17-18(9-10-20(17)32-22)25-19(27(28,29)30)14-31-26(34-25)33-21-6-5-7-23(21)36-12-3-4-13-36;2*1-13-22(14(2)35-33-13)21-6-3-17-18(4-5-20(17)31-21)23-19(25(26,27)28)10-29-24(32-23)30-16-9-15-7-8-34(11-15)12-16;2*1-12-22(13(2)34-33-12)15-4-6-17-14(9-15)3-7-18(17)23-19(25(26,27)28)11-29-24(32-23)31-21-10-16-5-8-20(21)30-16;2*1-10-19(11(2)34-33-10)17-6-4-13-14(8-27-21(13)30-17)20-15(23(24,25)26)9-28-22(32-20)31-18-7-12-3-5-16(18)29-12;2*24-23(25,26)18-13-28-22(29-19-7-8-20(19)31-9-1-2-10-31)30-21(18)17-6-4-15-11-14(12-27)3-5-16(15)17;2*1-31-9-8-27-18-6-7-19(18)29-21-28-12-17(22(23,24)25)20(30-21)16-5-3-14-10-13(11-26)2-4-15(14)16/h9-11,14-15,23-24H,3-8,12-13H2,1-2H3,(H,32,33,34);8-9,11,14,21,23H,3-7,10,12-13H2,1-2H3,(H,31,33,34);2*3-4,6,10,15-16H,5,7-9,11-12H2,1-2H3,(H,29,30,32);2*4,6-7,9,11,16,20-21,30H,3,5,8,10H2,1-2H3,(H,29,31,32);2*4,6,8-9,12,16,18,29H,3,5,7H2,1-2H3,(H,27,30)(H,28,31,32);2*3,5-6,11,13,19-20H,1-2,4,7-10H2,(H,28,29,30);2*2,4-5,10,12,18-19,27H,3,6-9H2,1H3,(H,28,29,30)/t23-,24-;21-,23-;2*15-,16+;2*16-,20+,21+;2*12-,16+,18+;2*19-,20-;2*18-,19-/m001010101010/s1
InChIKeyCBRFOOSAEVYSRN-OSTAQZODSA-N
XLogP56.28
TPSA963.23 Ų
H-Bond Donors20
H-Bond Acceptors75
Rotatable Bonds56
Heavy Atoms404
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005568.90
LogP ≤ 556.28
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1075

Analyze 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile?
The IUPAC name of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile (CID 163477449) is 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile?
The canonical SMILES for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile is COCCN[C@@H]1CC[C@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3cc(C#N)ccc32)n1.COCCN[C@H]1CC[C@@H]1Nc1ncc(C(F)(F)F)c(C2=CCc3cc(C#N)ccc32)n1.Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@@H]4C[C@@H]5CC[C@H]4N5)ncc3C(F)(F)F)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@H]4C[C@H]5CC[C@@H]4N5)ncc3C(F)(F)F)c[nH]c2n1.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@@H]2C[C@@H]3CC[C@H]2N3)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2CCC[C@@H]2N2CCCC2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2C[C@H]3CC[C@@H]2N3)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2C[C@@H]3CCN(C3)C2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCC[C@@H]2N2CCCC2)ncc1C(F)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2C[C@H]3CCN(C3)C2)ncc1C(F)(F)F.N#Cc1ccc2c(c1)CC=C2c1nc(N[C@@H]2CC[C@H]2N2CCCC2)ncc1C(F)(F)F.N#Cc1ccc2c(c1)CC=C2c1nc(N[C@H]2CC[C@@H]2N2CCCC2)ncc1C(F)(F)F.
What is the InChIKey of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile?
The InChIKey is CBRFOOSAEVYSRN-OSTAQZODSA-N. The full InChI is InChI=1S/C28H30F3N5O.C27H29F3N6O.2C25H25F3N6O.2C25H24F3N5O.2C23H22F3N7O.2C23H22F3N5.2C22H22F3N5O/c1-16-25(17(2)37-35-16)19-9-10-20-18(14-19)8-11-21(20)26-22(28(29,30)31)15-32-27(34-26)33-23-6-5-7-24(23)36-12-3-4-13-36;1-15-24(16(2)37-35-15)22-11-8-17-18(9-10-20(17)32-22)25-19(27(28,29)30)14-31-26(34-25)33-21-6-5-7-23(21)36-12-3-4-13-36;2*1-13-22(14(2)35-33-13)21-6-3-17-18(4-5-20(17)31-21)23-19(25(26,27)28)10-29-24(32-23)30-16-9-15-7-8-34(11-15)12-16;2*1-12-22(13(2)34-33-12)15-4-6-17-14(9-15)3-7-18(17)23-19(25(26,27)28)11-29-24(32-23)31-21-10-16-5-8-20(21)30-16;2*1-10-19(11(2)34-33-10)17-6-4-13-14(8-27-21(13)30-17)20-15(23(24,25)26)9-28-22(32-20)31-18-7-12-3-5-16(18)29-12;2*24-23(25,26)18-13-28-22(29-19-7-8-20(19)31-9-1-2-10-31)30-21(18)17-6-4-15-11-14(12-27)3-5-16(15)17;2*1-31-9-8-27-18-6-7-19(18)29-21-28-12-17(22(23,24)25)20(30-21)16-5-3-14-10-13(11-26)2-4-15(14)16/h9-11,14-15,23-24H,3-8,12-13H2,1-2H3,(H,32,33,34);8-9,11,14,21,23H,3-7,10,12-13H2,1-2H3,(H,31,33,34);2*3-4,6,10,15-16H,5,7-9,11-12H2,1-2H3,(H,29,30,32);2*4,6-7,9,11,16,20-21,30H,3,5,8,10H2,1-2H3,(H,29,31,32);2*4,6,8-9,12,16,18,29H,3,5,7H2,1-2H3,(H,27,30)(H,28,31,32);2*3,5-6,11,13,19-20H,1-2,4,7-10H2,(H,28,29,30);2*2,4-5,10,12,18-19,27H,3,6-9H2,1H3,(H,28,29,30)/t23-,24-;21-,23-;2*15-,16+;2*16-,20+,21+;2*12-,16+,18+;2*19-,20-;2*18-,19-/m001010101010/s1.
What are the key properties of 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile?
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile has a molecular weight of 5568.90 g/mol, XLogP of 56.28, 56 rotatable bonds, 20 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(3R,5S)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;(3S,5R)-N-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-1-azabicyclo[3.2.1]octan-3-amine;4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(1S,2S)-2-pyrrolidin-1-ylcyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine;(1S,2S,4R)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1S,2S,4R)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine;1-[2-[[(1R,2R)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-(2-methoxyethylamino)cyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1R,2R)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile;1-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclobutyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-3H-indene-5-carbonitrile is sourced from PubChem (CID 163477449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).