5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine

C373H407F30N89O17S2 — CID 167627776

About 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (PubChem CID 167627776) has the molecular formula C373H407F30N89O17S2 and a molecular weight of 7043.04 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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
• PubChem CID: 167627776
• Molecular Formula: C373H407F30N89O17S2
• Molecular Weight: 7043.04 g/mol
• Exact Mass: 7038.27
• IUPAC Name: 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
• SMILES: CC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1C1=CCc2cc(-c3cnco3)ccc21.CC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1C1=CCc2cc(-c3ncco3)ccc21.CC1(C)CNC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4cc(-c5nccs5)ccc43)n2)C1.CCC(=O)[C@H]1CNC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4cc(-c5c(C)noc5C)ccc43)n2)C1.CCC(=O)[C@H]1CNC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5c(C)noc5C)ccc43)n2)C1.CO[C@@H]1CCNC[C@H]1Nc1ncc(C(C)(F)F)c(C2=CCc3nc(-c4c(C)noc4C)ccc32)n1.Cc1nnc(-c2ccc3c(c2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)s1.Cc1noc(-c2ccc3c(c2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)n1.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@@H]2CNC[C@H](C(=O)N(C)C)C2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNC[C@H](C(=O)N(C)C)C2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CN=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.Cn1nnnc1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F
• InChI: InChI=1S/C28H32F2N6O2.C28H31F2N5O2.C27H31F2N7O2.C27H30F2N6O2.2C26H30F2N6O.C25H28F2N6O2.C25H27F2N5S.C24H25F2N5O.C23H25F2N7O.C23H24F2N6O.C23H24F2N6S.2C23H23F2N5O.C22H24F2N8/c1-15-24(16(2)38-35-15)18-7-8-21-17(10-18)6-9-22(21)25-23(28(3,29)30)14-32-27(34-25)33-20-11-19(12-31-13-20)26(37)36(4)5;1-5-24(36)19-11-20(13-31-12-19)33-27-32-14-23(28(4,29)30)26(34-27)22-9-6-17-10-18(7-8-21(17)22)25-15(2)35-37-16(25)3;1-14-23(15(2)38-35-14)22-9-6-18-19(7-8-21(18)33-22)24-20(27(3,28)29)13-31-26(34-24)32-17-10-16(11-30-12-17)25(37)36(4)5;1-5-23(36)16-10-17(12-30-11-16)32-26-31-13-20(27(4,28)29)25(34-26)19-7-8-21-18(19)6-9-22(33-21)24-14(2)35-37-15(24)3;1-14-22(15(2)35-34-14)21-9-6-17-18(7-8-20(17)32-21)23-19(26(5,27)28)12-30-24(33-23)31-16-10-25(3,4)13-29-11-16;1-14-22(15(2)35-34-14)21-9-6-17-18(7-8-20(17)32-21)23-19(26(5,27)28)13-29-24(33-23)31-16-10-11-25(3,4)30-12-16;1-13-22(14(2)35-33-13)19-8-5-15-16(6-7-18(15)30-19)23-17(25(3,26)27)11-29-24(32-23)31-20-12-28-10-9-21(20)34-4;1-24(2)11-17(12-28-14-24)31-23-30-13-20(25(3,26)27)21(32-23)19-7-4-15-10-16(5-6-18(15)19)22-29-8-9-33-22;1-14-20(13-32-31-14)16-5-7-18-15(10-16)6-8-19(18)22-21(24(2,25)26)12-28-23(30-22)29-17-4-3-9-27-11-17;1-12-19(13(2)33-32-12)17-7-6-15-18(30-17)11-27-20(15)21-16(23(3,24)25)10-28-22(31-21)29-14-5-4-8-26-9-14;1-13-28-21(32-31-13)15-6-7-17-14(10-15)5-8-18(17)20-19(23(2,24)25)12-27-22(30-20)29-16-4-3-9-26-11-16;1-13-30-31-21(32-13)15-6-7-17-14(10-15)5-8-18(17)20-19(23(2,24)25)12-27-22(29-20)28-16-4-3-9-26-11-16;1-23(24,25)19-11-28-22(29-16-3-2-8-26-10-16)30-21(19)18-7-4-14-9-15(5-6-17(14)18)20-12-27-13-31-20;1-23(24,25)19-13-28-22(29-16-3-2-8-26-12-16)30-20(19)18-7-4-14-11-15(5-6-17(14)18)21-27-9-10-31-21;1-22(23,24)18-12-26-21(27-15-4-3-9-25-11-15)28-19(18)17-8-5-13-10-14(6-7-16(13)17)20-29-30-31-32(20)2/h7-10,14,19-20,31H,6,11-13H2,1-5H3,(H,32,33,34);7-10,14,19-20,31H,5-6,11-13H2,1-4H3,(H,32,33,34);6-7,9,13,16-17,30H,8,10-12H2,1-5H3,(H,31,32,34);6-7,9,13,16-17,30H,5,8,10-12H2,1-4H3,(H,31,32,34);6-7,9,12,16,29H,8,10-11,13H2,1-5H3,(H,30,31,33);6-7,9,13,16,30H,8,10-12H2,1-5H3,(H,29,31,33);5-6,8,11,20-21,28H,7,9-10,12H2,1-4H3,(H,29,31,32);5-10,13,17,28H,4,11-12,14H2,1-3H3,(H,30,31,32);5,7-8,10,12-13,17,27H,3-4,6,9,11H2,1-2H3,(H,28,29,30);6-7,10,14,26H,4-5,8-9,11H2,1-3H3,(H,28,29,31);6-8,10,12,16,26H,3-5,9,11H2,1-2H3,(H,27,29,30);6-8,10,12,16,26H,3-5,9,11H2,1-2H3,(H,27,28,29);5-7,9,11-13,16,26H,2-4,8,10H2,1H3,(H,28,29,30);5-7,9-11,13,16,26H,2-4,8,12H2,1H3,(H,28,29,30);6-8,10,12,15,25H,3-5,9,11H2,1-2H3,(H,26,27,28)/t2*19-,20+;2*16-,17+;2*16-;20-,21-;2*17-;14-;4*16-;15-/m111100100000000/s1
• InChIKey: NITFHIMLIYVMTI-SFLJPRESSA-N
• XLogP: 66.50
• TPSA: 1328.81 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 106
• Rotatable Bonds: 82
• Heavy Atoms: 511
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	7043.04
LogP ≤ 5	66.50
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	106

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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine (CID 167627776) is 5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is CC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1C1=CCc2cc(-c3cnco3)ccc21.CC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1C1=CCc2cc(-c3ncco3)ccc21.CC1(C)CNC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4cc(-c5nccs5)ccc43)n2)C1.CCC(=O)[C@H]1CNC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4cc(-c5c(C)noc5C)ccc43)n2)C1.CCC(=O)[C@H]1CNC[C@@H](Nc2ncc(C(C)(F)F)c(C3=CCc4nc(-c5c(C)noc5C)ccc43)n2)C1.CO[C@@H]1CCNC[C@H]1Nc1ncc(C(C)(F)F)c(C2=CCc3nc(-c4c(C)noc4C)ccc32)n1.Cc1nnc(-c2ccc3c(c2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)s1.Cc1noc(-c2ccc3c(c2)CC=C3c2nc(N[C@H]3CCCNC3)ncc2C(C)(F)F)n1.Cc1noc(C)c1-c1ccc2c(c1)CC=C2c1nc(N[C@@H]2CNC[C@H](C(=O)N(C)C)C2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNCC(C)(C)C2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@@H]2CNC[C@H](C(=O)N(C)C)C2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CC=C2c1nc(N[C@H]2CCC(C)(C)NC2)ncc1C(C)(F)F.Cc1noc(C)c1-c1ccc2c(n1)CN=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.Cc1nocc1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.Cn1nnnc1-c1ccc2c(c1)CC=C2c1nc(N[C@H]2CCCNC2)ncc1C(C)(F)F.

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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine?

The InChIKey is NITFHIMLIYVMTI-SFLJPRESSA-N. The full InChI is InChI=1S/C28H32F2N6O2.C28H31F2N5O2.C27H31F2N7O2.C27H30F2N6O2.2C26H30F2N6O.C25H28F2N6O2.C25H27F2N5S.C24H25F2N5O.C23H25F2N7O.C23H24F2N6O.C23H24F2N6S.2C23H23F2N5O.C22H24F2N8/c1-15-24(16(2)38-35-15)18-7-8-21-17(10-18)6-9-22(21)25-23(28(3,29)30)14-32-27(34-25)33-20-11-19(12-31-13-20)26(37)36(4)5;1-5-24(36)19-11-20(13-31-12-19)33-27-32-14-23(28(4,29)30)26(34-27)22-9-6-17-10-18(7-8-21(17)22)25-15(2)35-37-16(25)3;1-14-23(15(2)38-35-14)22-9-6-18-19(7-8-21(18)33-22)24-20(27(3,28)29)13-31-26(34-24)32-17-10-16(11-30-12-17)25(37)36(4)5;1-5-23(36)16-10-17(12-30-11-16)32-26-31-13-20(27(4,28)29)25(34-26)19-7-8-21-18(19)6-9-22(33-21)24-14(2)35-37-15(24)3;1-14-22(15(2)35-34-14)21-9-6-17-18(7-8-20(17)32-21)23-19(26(5,27)28)12-30-24(33-23)31-16-10-25(3,4)13-29-11-16;1-14-22(15(2)35-34-14)21-9-6-17-18(7-8-20(17)32-21)23-19(26(5,27)28)13-29-24(33-23)31-16-10-11-25(3,4)30-12-16;1-13-22(14(2)35-33-13)19-8-5-15-16(6-7-18(15)30-19)23-17(25(3,26)27)11-29-24(32-23)31-20-12-28-10-9-21(20)34-4;1-24(2)11-17(12-28-14-24)31-23-30-13-20(25(3,26)27)21(32-23)19-7-4-15-10-16(5-6-18(15)19)22-29-8-9-33-22;1-14-20(13-32-31-14)16-5-7-18-15(10-16)6-8-19(18)22-21(24(2,25)26)12-28-23(30-22)29-17-4-3-9-27-11-17;1-12-19(13(2)33-32-12)17-7-6-15-18(30-17)11-27-20(15)21-16(23(3,24)25)10-28-22(31-21)29-14-5-4-8-26-9-14;1-13-28-21(32-31-13)15-6-7-17-14(10-15)5-8-18(17)20-19(23(2,24)25)12-27-22(30-20)29-16-4-3-9-26-11-16;1-13-30-31-21(32-13)15-6-7-17-14(10-15)5-8-18(17)20-19(23(2,24)25)12-27-22(29-20)28-16-4-3-9-26-11-16;1-23(24,25)19-11-28-22(29-16-3-2-8-26-10-16)30-21(19)18-7-4-14-9-15(5-6-17(14)18)20-12-27-13-31-20;1-23(24,25)19-13-28-22(29-16-3-2-8-26-12-16)30-20(19)18-7-4-14-11-15(5-6-17(14)18)21-27-9-10-31-21;1-22(23,24)18-12-26-21(27-15-4-3-9-25-11-15)28-19(18)17-8-5-13-10-14(6-7-16(13)17)20-29-30-31-32(20)2/h7-10,14,19-20,31H,6,11-13H2,1-5H3,(H,32,33,34);7-10,14,19-20,31H,5-6,11-13H2,1-4H3,(H,32,33,34);6-7,9,13,16-17,30H,8,10-12H2,1-5H3,(H,31,32,34);6-7,9,13,16-17,30H,5,8,10-12H2,1-4H3,(H,31,32,34);6-7,9,12,16,29H,8,10-11,13H2,1-5H3,(H,30,31,33);6-7,9,13,16,30H,8,10-12H2,1-5H3,(H,29,31,33);5-6,8,11,20-21,28H,7,9-10,12H2,1-4H3,(H,29,31,32);5-10,13,17,28H,4,11-12,14H2,1-3H3,(H,30,31,32);5,7-8,10,12-13,17,27H,3-4,6,9,11H2,1-2H3,(H,28,29,30);6-7,10,14,26H,4-5,8-9,11H2,1-3H3,(H,28,29,31);6-8,10,12,16,26H,3-5,9,11H2,1-2H3,(H,27,29,30);6-8,10,12,16,26H,3-5,9,11H2,1-2H3,(H,27,28,29);5-7,9,11-13,16,26H,2-4,8,10H2,1H3,(H,28,29,30);5-7,9-11,13,16,26H,2-4,8,12H2,1H3,(H,28,29,30);6-8,10,12,15,25H,3-5,9,11H2,1-2H3,(H,26,27,28)/t2*19-,20+;2*16-,17+;2*16-;20-,21-;2*17-;14-;4*16-;15-/m111100100000000/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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 7043.04 g/mol, XLogP of 66.50, 82 rotatable bonds, 30 hydrogen bond donors, and 106 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-[(3S)-5,5-dimethylpiperidin-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)-6,6-dimethylpiperidin-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,4R)-4-methoxypiperidin-3-yl]pyrimidin-2-amine;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]-N,N-dimethylpiperidine-3-carboxamide;1-[(3R,5S)-5-[[5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]pyrimidin-2-yl]amino]piperidin-3-yl]propan-1-one;5-(1,1-difluoroethyl)-4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-N-[(3S)-5,5-dimethylpiperidin-3-yl]-4-[5-(1,3-thiazol-2-yl)-3H-inden-1-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1-methyltetrazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine;5-(1,1-difluoroethyl)-4-[5-(1,3-oxazol-5-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 167627776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).