N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C134H143F24N41 — CID 161368147

IUPACN-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(C(F)(F)CN2CCCC(Nc3ncnc4[nH]ncc34)CC2)cc1.Cc1ccc(C(F)(F)CN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@H](F)C2)cc1.Cc1ccc(C(F)(F)CN2C[C@@H]3C(Nc4ncnc5[nH]ncc45)[C@@H]3C2)cc1.FC(F)(CN1CCCC(Cc2ncnc3[nH]ncc23)CC1)c1ccccc1.F[C@@H]1CN(CC(F)(F)c2ccc(C(F)(F)F)cc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CC(F)(F)c2ccc(C(F)(F)F)cc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CC(F)(F)c2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C20H24F2N6.C20H23F2N5.2C19H18F6N6.C19H21F3N6.C19H20F2N6.C18H19F3N6/c1-14-4-6-15(7-5-14)20(21,22)12-28-9-2-3-16(8-10-28)26-18-17-11-25-27-19(17)24-13-23-18;21-20(22,16-6-2-1-3-7-16)13-27-9-4-5-15(8-10-27)11-18-17-12-25-26-19(17)24-14-23-18;2*20-14-8-31(9-18(21,22)11-1-3-12(4-2-11)19(23,24)25)6-5-15(14)29-16-13-7-28-30-17(13)27-10-26-16;1-12-2-4-13(5-3-12)19(21,22)10-28-7-6-16(15(20)9-28)26-17-14-8-25-27-18(14)24-11-23-17;1-11-2-4-12(5-3-11)19(20,21)9-27-7-14-15(8-27)16(14)25-17-13-6-24-26-18(13)23-10-22-17;19-14-9-27(10-18(20,21)12-4-2-1-3-5-12)7-6-15(14)25-16-13-8-24-26-17(13)23-11-22-16/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H2,23,24,25,26,27);1-3,6-7,12,14-15H,4-5,8-11,13H2,(H,23,24,25,26);2*1-4,7,10,14-15H,5-6,8-9H2,(H2,26,27,28,29,30);2-5,8,11,15-16H,6-7,9-10H2,1H3,(H2,23,24,25,26,27);2-6,10,14-16H,7-9H2,1H3,(H2,22,23,24,25,26);1-5,8,11,14-15H,6-7,9-10H2,(H2,22,23,24,25,26)/t;;14-,15+;14-,15-;15-,16-;14-,15+,16?;14-,15+/m..011.0/s1
InChIKeyVQCCDJITHIMEOZ-OBULGWLJSA-N
MW2783.86 g/mol
LogP24.53
Rot. Bonds35

About N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 161368147) has the molecular formula C134H143F24N41 and a molecular weight of 2783.86 g/mol. Its IUPAC name is N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID161368147
Molecular FormulaC134H143F24N41
Molecular Weight2783.86 g/mol
Exact Mass2782.21
IUPAC NameN-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(C(F)(F)CN2CCCC(Nc3ncnc4[nH]ncc34)CC2)cc1.Cc1ccc(C(F)(F)CN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@H](F)C2)cc1.Cc1ccc(C(F)(F)CN2C[C@@H]3C(Nc4ncnc5[nH]ncc45)[C@@H]3C2)cc1.FC(F)(CN1CCCC(Cc2ncnc3[nH]ncc23)CC1)c1ccccc1.F[C@@H]1CN(CC(F)(F)c2ccc(C(F)(F)F)cc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CC(F)(F)c2ccc(C(F)(F)F)cc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CC(F)(F)c2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C20H24F2N6.C20H23F2N5.2C19H18F6N6.C19H21F3N6.C19H20F2N6.C18H19F3N6/c1-14-4-6-15(7-5-14)20(21,22)12-28-9-2-3-16(8-10-28)26-18-17-11-25-27-19(17)24-13-23-18;21-20(22,16-6-2-1-3-7-16)13-27-9-4-5-15(8-10-27)11-18-17-12-25-26-19(17)24-14-23-18;2*20-14-8-31(9-18(21,22)11-1-3-12(4-2-11)19(23,24)25)6-5-15(14)29-16-13-7-28-30-17(13)27-10-26-16;1-12-2-4-13(5-3-12)19(21,22)10-28-7-6-16(15(20)9-28)26-17-14-8-25-27-18(14)24-11-23-17;1-11-2-4-12(5-3-11)19(20,21)9-27-7-14-15(8-27)16(14)25-17-13-6-24-26-18(13)23-10-22-17;19-14-9-27(10-18(20,21)12-4-2-1-3-5-12)7-6-15(14)25-16-13-8-24-26-17(13)23-11-22-16/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H2,23,24,25,26,27);1-3,6-7,12,14-15H,4-5,8-11,13H2,(H,23,24,25,26);2*1-4,7,10,14-15H,5-6,8-9H2,(H2,26,27,28,29,30);2-5,8,11,15-16H,6-7,9-10H2,1H3,(H2,23,24,25,26,27);2-6,10,14-16H,7-9H2,1H3,(H2,22,23,24,25,26);1-5,8,11,14-15H,6-7,9-10H2,(H2,22,23,24,25,26)/t;;14-,15+;14-,15-;15-,16-;14-,15+,16?;14-,15+/m..011.0/s1
InChIKeyVQCCDJITHIMEOZ-OBULGWLJSA-N
XLogP24.53
TPSA476.08 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002783.86
LogP ≤ 524.53
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

Analyze N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 145034066
3-[4-[(1E)-1-(4,4-difluoropiperidin-1-yl)buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]-5-(5-fluoro-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 145034971
2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
CID 145035331
2-[5-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine;ethane
CID 145037718
2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine;3-[7-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane
CID 145038538
5-[(2E,4E)-5-(1-cyclohexylethenylamino)hepta-2,4,6-trien-3-yl]-N-[3-[3-[2-[5-[(2E,4E)-5-[(3,3-difluoropyrrolidin-1-yl)methyl]hepta-2,4,6-trien-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]propyl]-3-[4-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-N-methylpyrazolo[5,4-b]pyridin-1-amine;ethane
CID 145248526
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664847
N,N-dimethyl-1-[5-[3-[7-[5-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;ethane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 145664978
4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-6-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-ethylpyrazol-3-yl]-N-(4-fluoro-1-methylpyrazol-5-yl)-5-methylpyrimidin-2-amine
CID 155376550
4-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-(difluoromethyl)pyrazol-3-yl]-6-[(7R)-5-[(2,4-difluorophenyl)-difluoromethyl]-7-(fluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155376640
3-[6-[(3S)-6,6-difluoro-3-propyl-1,4-diazepan-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-fluoro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-propyl-1,4-diazepan-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 157066758
3-[4-[4-(4,4-difluorocyclohexyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(2-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(3-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-[(4-fluorophenyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157147438

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 161368147) is N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(C(F)(F)CN2CCCC(Nc3ncnc4[nH]ncc34)CC2)cc1.Cc1ccc(C(F)(F)CN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@H](F)C2)cc1.Cc1ccc(C(F)(F)CN2C[C@@H]3C(Nc4ncnc5[nH]ncc45)[C@@H]3C2)cc1.FC(F)(CN1CCCC(Cc2ncnc3[nH]ncc23)CC1)c1ccccc1.F[C@@H]1CN(CC(F)(F)c2ccc(C(F)(F)F)cc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CC(F)(F)c2ccc(C(F)(F)F)cc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CC(F)(F)c2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VQCCDJITHIMEOZ-OBULGWLJSA-N. The full InChI is InChI=1S/C20H24F2N6.C20H23F2N5.2C19H18F6N6.C19H21F3N6.C19H20F2N6.C18H19F3N6/c1-14-4-6-15(7-5-14)20(21,22)12-28-9-2-3-16(8-10-28)26-18-17-11-25-27-19(17)24-13-23-18;21-20(22,16-6-2-1-3-7-16)13-27-9-4-5-15(8-10-27)11-18-17-12-25-26-19(17)24-14-23-18;2*20-14-8-31(9-18(21,22)11-1-3-12(4-2-11)19(23,24)25)6-5-15(14)29-16-13-7-28-30-17(13)27-10-26-16;1-12-2-4-13(5-3-12)19(21,22)10-28-7-6-16(15(20)9-28)26-17-14-8-25-27-18(14)24-11-23-17;1-11-2-4-12(5-3-11)19(20,21)9-27-7-14-15(8-27)16(14)25-17-13-6-24-26-18(13)23-10-22-17;19-14-9-27(10-18(20,21)12-4-2-1-3-5-12)7-6-15(14)25-16-13-8-24-26-17(13)23-11-22-16/h4-7,11,13,16H,2-3,8-10,12H2,1H3,(H2,23,24,25,26,27);1-3,6-7,12,14-15H,4-5,8-11,13H2,(H,23,24,25,26);2*1-4,7,10,14-15H,5-6,8-9H2,(H2,26,27,28,29,30);2-5,8,11,15-16H,6-7,9-10H2,1H3,(H2,23,24,25,26,27);2-6,10,14-16H,7-9H2,1H3,(H2,22,23,24,25,26);1-5,8,11,14-15H,6-7,9-10H2,(H2,22,23,24,25,26)/t;;14-,15+;14-,15-;15-,16-;14-,15+,16?;14-,15+/m..011.0/s1.
What are the key properties of N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 2783.86 g/mol, XLogP of 24.53, 35 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-(4-methylphenyl)ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-(4-methylphenyl)ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;4-[[1-(2,2-difluoro-2-phenylethyl)azepan-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine;N-[(3S,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 161368147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).