5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C145H122F3N53O10 — CID 159285410

IUPAC5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)ccc1=O.Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]ccc5=O)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(=O)[nH]c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5C(F)(F)F)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnccc5N)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cn2)cn1
InChIInChI=1S/C22H18N8O.C21H16F3N7O.C21H17N9O.C21H19N7O2.C20H18N8O.2C20H17N7O2/c23-21-26-10-15(11-27-21)17-4-3-16(12-25-17)22(6-1-7-22)20-28-19(31-29-20)14-2-5-18-24-8-9-30(18)13-14;22-21(23,24)16-14(3-1-8-26-16)17-30-18(31-32-17)20(6-2-7-20)13-4-5-15(27-11-13)12-9-28-19(25)29-10-12;22-20-25-9-13(10-26-20)16-4-3-14(11-24-16)21(5-1-6-21)19-28-18(31-29-19)15-12-27-30-8-2-7-23-17(15)30;1-28-12-13(3-6-17(28)29)18-26-19(27-30-18)21(7-2-8-21)15-4-5-16(23-11-15)14-9-24-20(22)25-10-14;21-15-4-7-23-11-14(15)17-27-18(28-29-17)20(5-1-6-20)13-2-3-16(24-10-13)12-8-25-19(22)26-9-12;21-19-24-9-13(10-25-19)15-4-3-14(11-22-15)20(6-1-7-20)18-26-17(29-27-18)12-2-5-16(28)23-8-12;21-19-24-8-12(9-25-19)15-3-2-13(10-23-15)20(5-1-6-20)18-26-17(29-27-18)14-11-22-7-4-16(14)28/h2-5,8-13H,1,6-7H2,(H2,23,26,27);1,3-5,8-11H,2,6-7H2,(H2,25,28,29);2-4,7-12H,1,5-6H2,(H2,22,25,26);3-6,9-12H,2,7-8H2,1H3,(H2,22,24,25);2-4,7-11H,1,5-6H2,(H2,21,23)(H2,22,25,26);2-5,8-11H,1,6-7H2,(H,23,28)(H2,21,24,25);2-4,7-11H,1,5-6H2,(H,22,28)(H2,21,24,25)
InChIKeyKZLHXDNPHZFLCB-UHFFFAOYSA-N
MW2823.93 g/mol
LogP19.64
Rot. Bonds28

About 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159285410) has the molecular formula C145H122F3N53O10 and a molecular weight of 2823.93 g/mol. Its IUPAC name is 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID159285410
Molecular FormulaC145H122F3N53O10
Molecular Weight2823.93 g/mol
Exact Mass2822.06
IUPAC Name5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)ccc1=O.Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]ccc5=O)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(=O)[nH]c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5C(F)(F)F)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnccc5N)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cn2)cn1
InChIInChI=1S/C22H18N8O.C21H16F3N7O.C21H17N9O.C21H19N7O2.C20H18N8O.2C20H17N7O2/c23-21-26-10-15(11-27-21)17-4-3-16(12-25-17)22(6-1-7-22)20-28-19(31-29-20)14-2-5-18-24-8-9-30(18)13-14;22-21(23,24)16-14(3-1-8-26-16)17-30-18(31-32-17)20(6-2-7-20)13-4-5-15(27-11-13)12-9-28-19(25)29-10-12;22-20-25-9-13(10-26-20)16-4-3-14(11-24-16)21(5-1-6-21)19-28-18(31-29-19)15-12-27-30-8-2-7-23-17(15)30;1-28-12-13(3-6-17(28)29)18-26-19(27-30-18)21(7-2-8-21)15-4-5-16(23-11-15)14-9-24-20(22)25-10-14;21-15-4-7-23-11-14(15)17-27-18(28-29-17)20(5-1-6-20)13-2-3-16(24-10-13)12-8-25-19(22)26-9-12;21-19-24-9-13(10-25-19)15-4-3-14(11-22-15)20(6-1-7-20)18-26-17(29-27-18)12-2-5-16(28)23-8-12;21-19-24-8-12(9-25-19)15-3-2-13(10-23-15)20(5-1-6-20)18-26-17(29-27-18)14-11-22-7-4-16(14)28/h2-5,8-13H,1,6-7H2,(H2,23,26,27);1,3-5,8-11H,2,6-7H2,(H2,25,28,29);2-4,7-12H,1,5-6H2,(H2,22,25,26);3-6,9-12H,2,7-8H2,1H3,(H2,22,24,25);2-4,7-11H,1,5-6H2,(H2,21,23)(H2,22,25,26);2-5,8-11H,1,6-7H2,(H,23,28)(H2,21,24,25);2-4,7-11H,1,5-6H2,(H,22,28)(H2,21,24,25)
InChIKeyKZLHXDNPHZFLCB-UHFFFAOYSA-N
XLogP19.64
TPSA912.28 Ų
H-Bond Donors10
H-Bond Acceptors61
Rotatable Bonds28
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002823.93
LogP ≤ 519.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1061

Analyze 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 159285410) is 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)ccc1=O.Nc1ncc(-c2ccc(C3(c4noc(-c5c[nH]ccc5=O)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(=O)[nH]c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5ccc6nccn6c5)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cccnc5C(F)(F)F)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnccc5N)n4)CCC3)cn2)cn1.Nc1ncc(-c2ccc(C3(c4noc(-c5cnn6cccnc56)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is KZLHXDNPHZFLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O.C21H16F3N7O.C21H17N9O.C21H19N7O2.C20H18N8O.2C20H17N7O2/c23-21-26-10-15(11-27-21)17-4-3-16(12-25-17)22(6-1-7-22)20-28-19(31-29-20)14-2-5-18-24-8-9-30(18)13-14;22-21(23,24)16-14(3-1-8-26-16)17-30-18(31-32-17)20(6-2-7-20)13-4-5-15(27-11-13)12-9-28-19(25)29-10-12;22-20-25-9-13(10-26-20)16-4-3-14(11-24-16)21(5-1-6-21)19-28-18(31-29-19)15-12-27-30-8-2-7-23-17(15)30;1-28-12-13(3-6-17(28)29)18-26-19(27-30-18)21(7-2-8-21)15-4-5-16(23-11-15)14-9-24-20(22)25-10-14;21-15-4-7-23-11-14(15)17-27-18(28-29-17)20(5-1-6-20)13-2-3-16(24-10-13)12-8-25-19(22)26-9-12;21-19-24-9-13(10-25-19)15-4-3-14(11-22-15)20(6-1-7-20)18-26-17(29-27-18)12-2-5-16(28)23-8-12;21-19-24-8-12(9-25-19)15-3-2-13(10-23-15)20(5-1-6-20)18-26-17(29-27-18)14-11-22-7-4-16(14)28/h2-5,8-13H,1,6-7H2,(H2,23,26,27);1,3-5,8-11H,2,6-7H2,(H2,25,28,29);2-4,7-12H,1,5-6H2,(H2,22,25,26);3-6,9-12H,2,7-8H2,1H3,(H2,22,24,25);2-4,7-11H,1,5-6H2,(H2,21,23)(H2,22,25,26);2-5,8-11H,1,6-7H2,(H,23,28)(H2,21,24,25);2-4,7-11H,1,5-6H2,(H,22,28)(H2,21,24,25).
What are the key properties of 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2823.93 g/mol, XLogP of 19.64, 28 rotatable bonds, 10 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(4-amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-2-one;3-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one;5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one;5-[5-[1-(5-imidazo[1,2-a]pyridin-6-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[1-[5-[2-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159285410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).