N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C198H193F3N86O9S3 — CID 158086344

About N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158086344) has the molecular formula C198H193F3N86O9S3 and a molecular weight of 4074.51 g/mol. Its IUPAC name is N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 158086344
• Molecular Formula: C198H193F3N86O9S3
• Molecular Weight: 4074.51 g/mol
• Exact Mass: 4071.64
• IUPAC Name: N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: Cc1ccc(-c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)s1.Cc1ccc(Cc2nnc(C3CC[C@H](Nc4ncnc5[nH]ncc45)C3)s2)cc1.Cc1ccccc1-c1noc([C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)n1.Cc1cnc(-c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)cn1.FC(F)(F)c1ccc(Cc2nc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)cc1.c1ccc(-c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)nc1.c1ccc(-c2noc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1.c1ccc(-c2noc([C@@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1.c1ccc(Cc2csc([C@@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1.c1ccc([C@H]2CC2c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)cc1.c1cncc(-c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)c1
• InChI: InChI=1S/C20H18F3N7O.C20H20N8O.C20H21N7S.C20H20N6S.C19H19N7O.C18H17N7O.C17H16N8O.C16H16N10O.2C16H15N9O.C16H16N8OS/c21-20(22,23)13-4-1-11(2-5-13)7-16-28-17(30-31-16)12-3-6-14(8-12)27-18-15-9-26-29-19(15)25-10-24-18;1-2-4-12(5-3-1)14-8-15(14)19-25-20(27-29-19)28-7-6-13(10-28)24-17-16-9-23-26-18(16)22-11-21-17;1-12-2-4-13(5-3-12)8-17-25-27-20(28-17)14-6-7-15(9-14)24-18-16-10-23-26-19(16)22-11-21-18;1-2-4-13(5-3-1)8-16-11-27-20(25-16)14-6-7-15(9-14)24-18-17-10-23-26-19(17)22-12-21-18;1-11-4-2-3-5-14(11)18-24-19(27-26-18)12-6-7-13(8-12)23-16-15-9-22-25-17(15)21-10-20-16;1-2-4-11(5-3-1)15-23-18(26-25-15)12-6-7-13(8-12)22-16-14-9-21-24-17(14)20-10-19-16;1-2-4-11(5-3-1)14-22-17(26-24-14)25-7-6-12(9-25)21-15-13-8-20-23-16(13)19-10-18-15;1-9-4-18-12(6-17-9)15-23-16(25-27-15)26-3-2-10(7-26)22-13-11-5-21-24-14(11)20-8-19-13;1-2-10(6-17-4-1)15-22-16(24-26-15)25-5-3-11(8-25)21-13-12-7-20-23-14(12)19-9-18-13;1-2-5-17-12(3-1)15-22-16(24-26-15)25-6-4-10(8-25)21-13-11-7-20-23-14(11)19-9-18-13;1-9-2-3-12(26-9)15-21-16(23-25-15)24-5-4-10(7-24)20-13-11-6-19-22-14(11)18-8-17-13/h1-2,4-5,9-10,12,14H,3,6-8H2,(H2,24,25,26,27,29);1-5,9,11,13-15H,6-8,10H2,(H2,21,22,23,24,26);2-5,10-11,14-15H,6-9H2,1H3,(H2,21,22,23,24,26);1-5,10-12,14-15H,6-9H2,(H2,21,22,23,24,26);2-5,9-10,12-13H,6-8H2,1H3,(H2,20,21,22,23,25);1-5,9-10,12-13H,6-8H2,(H2,19,20,21,22,24);1-5,8,10,12H,6-7,9H2,(H2,18,19,20,21,23);4-6,8,10H,2-3,7H2,1H3,(H2,19,20,21,22,24);1-2,4,6-7,9,11H,3,5,8H2,(H2,18,19,20,21,23);1-3,5,7,9-10H,4,6,8H2,(H2,18,19,20,21,23);2-3,6,8,10H,4-5,7H2,1H3,(H2,17,18,19,20,22)/t12-,14-;13-,14+,15?;14?,15-;14-,15+;12-,13-;12-,13+;12-;10-;11-;2*10-/m00010100000/s1
• InChIKey: FNOHWKYVCGMHCL-AWNZCEAWSA-N
• XLogP: 30.13
• TPSA: 1191.34 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 87
• Rotatable Bonds: 48
• Heavy Atoms: 299
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4074.51
LogP ≤ 5	30.13
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	87

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The IUPAC name of N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 158086344) is N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)s1.Cc1ccc(Cc2nnc(C3CC[C@H](Nc4ncnc5[nH]ncc45)C3)s2)cc1.Cc1ccccc1-c1noc([C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)n1.Cc1cnc(-c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)cn1.FC(F)(F)c1ccc(Cc2nc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)cc1.c1ccc(-c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)nc1.c1ccc(-c2noc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1.c1ccc(-c2noc([C@@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1.c1ccc(Cc2csc([C@@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1.c1ccc([C@H]2CC2c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)cc1.c1cncc(-c2nc(N3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)c1.

What is the InChIKey of N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The InChIKey is FNOHWKYVCGMHCL-AWNZCEAWSA-N. The full InChI is InChI=1S/C20H18F3N7O.C20H20N8O.C20H21N7S.C20H20N6S.C19H19N7O.C18H17N7O.C17H16N8O.C16H16N10O.2C16H15N9O.C16H16N8OS/c21-20(22,23)13-4-1-11(2-5-13)7-16-28-17(30-31-16)12-3-6-14(8-12)27-18-15-9-26-29-19(15)25-10-24-18;1-2-4-12(5-3-1)14-8-15(14)19-25-20(27-29-19)28-7-6-13(10-28)24-17-16-9-23-26-18(16)22-11-21-17;1-12-2-4-13(5-3-12)8-17-25-27-20(28-17)14-6-7-15(9-14)24-18-16-10-23-26-19(16)22-11-21-18;1-2-4-13(5-3-1)8-16-11-27-20(25-16)14-6-7-15(9-14)24-18-17-10-23-26-19(17)22-12-21-18;1-11-4-2-3-5-14(11)18-24-19(27-26-18)12-6-7-13(8-12)23-16-15-9-22-25-17(15)21-10-20-16;1-2-4-11(5-3-1)15-23-18(26-25-15)12-6-7-13(8-12)22-16-14-9-21-24-17(14)20-10-19-16;1-2-4-11(5-3-1)14-22-17(26-24-14)25-7-6-12(9-25)21-15-13-8-20-23-16(13)19-10-18-15;1-9-4-18-12(6-17-9)15-23-16(25-27-15)26-3-2-10(7-26)22-13-11-5-21-24-14(11)20-8-19-13;1-2-10(6-17-4-1)15-22-16(24-26-15)25-5-3-11(8-25)21-13-12-7-20-23-14(12)19-9-18-13;1-2-5-17-12(3-1)15-22-16(24-26-15)25-6-4-10(8-25)21-13-11-7-20-23-14(11)19-9-18-13;1-9-2-3-12(26-9)15-21-16(23-25-15)24-5-4-10(7-24)20-13-11-6-19-22-14(11)18-8-17-13/h1-2,4-5,9-10,12,14H,3,6-8H2,(H2,24,25,26,27,29);1-5,9,11,13-15H,6-8,10H2,(H2,21,22,23,24,26);2-5,10-11,14-15H,6-9H2,1H3,(H2,21,22,23,24,26);1-5,10-12,14-15H,6-9H2,(H2,21,22,23,24,26);2-5,9-10,12-13H,6-8H2,1H3,(H2,20,21,22,23,25);1-5,9-10,12-13H,6-8H2,(H2,19,20,21,22,24);1-5,8,10,12H,6-7,9H2,(H2,18,19,20,21,23);4-6,8,10H,2-3,7H2,1H3,(H2,19,20,21,22,24);1-2,4,6-7,9,11H,3,5,8H2,(H2,18,19,20,21,23);1-3,5,7,9-10H,4,6,8H2,(H2,18,19,20,21,23);2-3,6,8,10H,4-5,7H2,1H3,(H2,17,18,19,20,22)/t12-,14-;13-,14+,15?;14?,15-;14-,15+;12-,13-;12-,13+;12-;10-;11-;2*10-/m00010100000/s1.

What are the key properties of N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 4074.51 g/mol, XLogP of 30.13, 48 rotatable bonds, 22 hydrogen bond donors, and 87 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,3R)-3-(4-benzyl-1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S)-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-[5-[(2S)-2-phenylcyclopropyl]-1,2,4-oxadiazol-3-yl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S)-1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158086344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).